N-[3-[5-chloro-2-(difluoromethoxy)phenyl]-1-(2-oxooxolan-3-yl)pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[3-[5-chloro-2-(difluoromethoxy)phenyl]-1-[(3S)-2-oxooxolan-3-yl]pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[3-[5-chloro-2-(difluoromethoxy)phenyl]-1-[(3R)-2-oxooxolan-3-yl]pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide

C63H45Cl3F6N18O12 — CID 158250849

About N-[3-[5-chloro-2-(difluoromethoxy)phenyl]-1-(2-oxooxolan-3-yl)pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[3-[5-chloro-2-(difluoromethoxy)phenyl]-1-[(3S)-2-oxooxolan-3-yl]pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[3-[5-chloro-2-(difluoromethoxy)phenyl]-1-[(3R)-2-oxooxolan-3-yl]pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide

N-[3-[5-chloro-2-(difluoromethoxy)phenyl]-1-(2-oxooxolan-3-yl)pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[3-[5-chloro-2-(difluoromethoxy)phenyl]-1-[(3S)-2-oxooxolan-3-yl]pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[3-[5-chloro-2-(difluoromethoxy)phenyl]-1-[(3R)-2-oxooxolan-3-yl]pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 158250849) has the molecular formula C63H45Cl3F6N18O12 and a molecular weight of 1466.51 g/mol. Its IUPAC name is N-[3-[5-chloro-2-(difluoromethoxy)phenyl]-1-(2-oxooxolan-3-yl)pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[3-[5-chloro-2-(difluoromethoxy)phenyl]-1-[(3S)-2-oxooxolan-3-yl]pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[3-[5-chloro-2-(difluoromethoxy)phenyl]-1-[(3R)-2-oxooxolan-3-yl]pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

• Compound Name: N-[3-[5-chloro-2-(difluoromethoxy)phenyl]-1-(2-oxooxolan-3-yl)pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[3-[5-chloro-2-(difluoromethoxy)phenyl]-1-[(3S)-2-oxooxolan-3-yl]pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[3-[5-chloro-2-(difluoromethoxy)phenyl]-1-[(3R)-2-oxooxolan-3-yl]pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
• PubChem CID: 158250849
• Molecular Formula: C63H45Cl3F6N18O12
• Molecular Weight: 1466.51 g/mol
• Exact Mass: 1464.24
• IUPAC Name: N-[3-[5-chloro-2-(difluoromethoxy)phenyl]-1-(2-oxooxolan-3-yl)pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[3-[5-chloro-2-(difluoromethoxy)phenyl]-1-[(3S)-2-oxooxolan-3-yl]pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[3-[5-chloro-2-(difluoromethoxy)phenyl]-1-[(3R)-2-oxooxolan-3-yl]pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
• SMILES: O=C(Nc1cn(C2CCOC2=O)nc1-c1cc(Cl)ccc1OC(F)F)c1cnn2cccnc12.O=C(Nc1cn([C@@H]2CCOC2=O)nc1-c1cc(Cl)ccc1OC(F)F)c1cnn2cccnc12.O=C(Nc1cn([C@H]2CCOC2=O)nc1-c1cc(Cl)ccc1OC(F)F)c1cnn2cccnc12
• InChI: InChI=1S/3C21H15ClF2N6O4/c3*22-11-2-3-16(34-21(23)24)12(8-11)17-14(10-30(28-17)15-4-7-33-20(15)32)27-19(31)13-9-26-29-6-1-5-25-18(13)29/h3*1-3,5-6,8-10,15,21H,4,7H2,(H,27,31)/t2*15-;/m10./s1
• InChIKey: GGRUCSPKJMMLBT-UIPGKBEOSA-N
• XLogP: 10.76
• TPSA: 337.92 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 27
• Rotatable Bonds: 18
• Heavy Atoms: 102
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1466.51
LogP ≤ 5	10.76
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	27

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-[3-[5-chloro-2-(difluoromethoxy)phenyl]-1-(2-oxooxolan-3-yl)pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[3-[5-chloro-2-(difluoromethoxy)phenyl]-1-[(3S)-2-oxooxolan-3-yl]pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[3-[5-chloro-2-(difluoromethoxy)phenyl]-1-[(3R)-2-oxooxolan-3-yl]pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?

The IUPAC name of N-[3-[5-chloro-2-(difluoromethoxy)phenyl]-1-(2-oxooxolan-3-yl)pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[3-[5-chloro-2-(difluoromethoxy)phenyl]-1-[(3S)-2-oxooxolan-3-yl]pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[3-[5-chloro-2-(difluoromethoxy)phenyl]-1-[(3R)-2-oxooxolan-3-yl]pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 158250849) is N-[3-[5-chloro-2-(difluoromethoxy)phenyl]-1-(2-oxooxolan-3-yl)pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[3-[5-chloro-2-(difluoromethoxy)phenyl]-1-[(3S)-2-oxooxolan-3-yl]pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[3-[5-chloro-2-(difluoromethoxy)phenyl]-1-[(3R)-2-oxooxolan-3-yl]pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide.

What is the SMILES notation for N-[3-[5-chloro-2-(difluoromethoxy)phenyl]-1-(2-oxooxolan-3-yl)pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[3-[5-chloro-2-(difluoromethoxy)phenyl]-1-[(3S)-2-oxooxolan-3-yl]pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[3-[5-chloro-2-(difluoromethoxy)phenyl]-1-[(3R)-2-oxooxolan-3-yl]pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?

The canonical SMILES for N-[3-[5-chloro-2-(difluoromethoxy)phenyl]-1-(2-oxooxolan-3-yl)pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[3-[5-chloro-2-(difluoromethoxy)phenyl]-1-[(3S)-2-oxooxolan-3-yl]pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[3-[5-chloro-2-(difluoromethoxy)phenyl]-1-[(3R)-2-oxooxolan-3-yl]pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide is O=C(Nc1cn(C2CCOC2=O)nc1-c1cc(Cl)ccc1OC(F)F)c1cnn2cccnc12.O=C(Nc1cn([C@@H]2CCOC2=O)nc1-c1cc(Cl)ccc1OC(F)F)c1cnn2cccnc12.O=C(Nc1cn([C@H]2CCOC2=O)nc1-c1cc(Cl)ccc1OC(F)F)c1cnn2cccnc12.

What is the InChIKey of N-[3-[5-chloro-2-(difluoromethoxy)phenyl]-1-(2-oxooxolan-3-yl)pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[3-[5-chloro-2-(difluoromethoxy)phenyl]-1-[(3S)-2-oxooxolan-3-yl]pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[3-[5-chloro-2-(difluoromethoxy)phenyl]-1-[(3R)-2-oxooxolan-3-yl]pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?

The InChIKey is GGRUCSPKJMMLBT-UIPGKBEOSA-N. The full InChI is InChI=1S/3C21H15ClF2N6O4/c3*22-11-2-3-16(34-21(23)24)12(8-11)17-14(10-30(28-17)15-4-7-33-20(15)32)27-19(31)13-9-26-29-6-1-5-25-18(13)29/h3*1-3,5-6,8-10,15,21H,4,7H2,(H,27,31)/t2*15-;/m10./s1.

What are the key properties of N-[3-[5-chloro-2-(difluoromethoxy)phenyl]-1-(2-oxooxolan-3-yl)pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[3-[5-chloro-2-(difluoromethoxy)phenyl]-1-[(3S)-2-oxooxolan-3-yl]pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[3-[5-chloro-2-(difluoromethoxy)phenyl]-1-[(3R)-2-oxooxolan-3-yl]pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?

N-[3-[5-chloro-2-(difluoromethoxy)phenyl]-1-(2-oxooxolan-3-yl)pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[3-[5-chloro-2-(difluoromethoxy)phenyl]-1-[(3S)-2-oxooxolan-3-yl]pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[3-[5-chloro-2-(difluoromethoxy)phenyl]-1-[(3R)-2-oxooxolan-3-yl]pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 1466.51 g/mol, XLogP of 10.76, 18 rotatable bonds, 3 hydrogen bond donors, and 27 hydrogen bond acceptors.

Where does this data come from?

All data for N-[3-[5-chloro-2-(difluoromethoxy)phenyl]-1-(2-oxooxolan-3-yl)pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[3-[5-chloro-2-(difluoromethoxy)phenyl]-1-[(3S)-2-oxooxolan-3-yl]pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[3-[5-chloro-2-(difluoromethoxy)phenyl]-1-[(3R)-2-oxooxolan-3-yl]pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 158250849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).