N-[3-[5-chloro-2-(difluoromethoxy)phenyl]-1-[2-(1,3-oxazol-2-ylmethylamino)ethyl]pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide

C23H19ClF2N8O3 — CID 118522737

IUPACN-[3-[5-chloro-2-(difluoromethoxy)phenyl]-1-[2-(1,3-oxazol-2-ylmethylamino)ethyl]pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESO=C(Nc1cn(CCNCc2ncco2)nc1-c1cc(Cl)ccc1OC(F)F)c1cnn2cccnc12
InChIInChI=1S/C23H19ClF2N8O3/c24-14-2-3-18(37-23(25)26)15(10-14)20-17(13-33(32-20)8-5-27-12-19-28-6-9-36-19)31-22(35)16-11-30-34-7-1-4-29-21(16)34/h1-4,6-7,9-11,13,23,27H,5,8,12H2,(H,31,35)
InChIKeyZGQPNZFFVLJUJB-UHFFFAOYSA-N
MW528.91 g/mol
LogP3.88
Rot. Bonds10

About N-[3-[5-chloro-2-(difluoromethoxy)phenyl]-1-[2-(1,3-oxazol-2-ylmethylamino)ethyl]pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide

N-[3-[5-chloro-2-(difluoromethoxy)phenyl]-1-[2-(1,3-oxazol-2-ylmethylamino)ethyl]pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 118522737) has the molecular formula C23H19ClF2N8O3 and a molecular weight of 528.91 g/mol. Its IUPAC name is N-[3-[5-chloro-2-(difluoromethoxy)phenyl]-1-[2-(1,3-oxazol-2-ylmethylamino)ethyl]pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound NameN-[3-[5-chloro-2-(difluoromethoxy)phenyl]-1-[2-(1,3-oxazol-2-ylmethylamino)ethyl]pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
PubChem CID118522737
Molecular FormulaC23H19ClF2N8O3
Molecular Weight528.91 g/mol
Exact Mass528.12
IUPAC NameN-[3-[5-chloro-2-(difluoromethoxy)phenyl]-1-[2-(1,3-oxazol-2-ylmethylamino)ethyl]pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESO=C(Nc1cn(CCNCc2ncco2)nc1-c1cc(Cl)ccc1OC(F)F)c1cnn2cccnc12
InChIInChI=1S/C23H19ClF2N8O3/c24-14-2-3-18(37-23(25)26)15(10-14)20-17(13-33(32-20)8-5-27-12-19-28-6-9-36-19)31-22(35)16-11-30-34-7-1-4-29-21(16)34/h1-4,6-7,9-11,13,23,27H,5,8,12H2,(H,31,35)
InChIKeyZGQPNZFFVLJUJB-UHFFFAOYSA-N
XLogP3.88
TPSA124.40 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds10
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500528.91
LogP ≤ 53.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze N-[3-[5-chloro-2-(difluoromethoxy)phenyl]-1-[2-(1,3-oxazol-2-ylmethylamino)ethyl]pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[3-[5-chloro-2-(difluoromethoxy)phenyl]-1-[2-(1,3-oxazol-2-ylmethylamino)ethyl]pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The IUPAC name of N-[3-[5-chloro-2-(difluoromethoxy)phenyl]-1-[2-(1,3-oxazol-2-ylmethylamino)ethyl]pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 118522737) is N-[3-[5-chloro-2-(difluoromethoxy)phenyl]-1-[2-(1,3-oxazol-2-ylmethylamino)ethyl]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-(1,3-oxazol-2-ylmethylamino)ethyl]pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The canonical SMILES for N-[3-[5-chloro-2-(difluoromethoxy)phenyl]-1-[2-(1,3-oxazol-2-ylmethylamino)ethyl]pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide is O=C(Nc1cn(CCNCc2ncco2)nc1-c1cc(Cl)ccc1OC(F)F)c1cnn2cccnc12.
What is the InChIKey of N-[3-[5-chloro-2-(difluoromethoxy)phenyl]-1-[2-(1,3-oxazol-2-ylmethylamino)ethyl]pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The InChIKey is ZGQPNZFFVLJUJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19ClF2N8O3/c24-14-2-3-18(37-23(25)26)15(10-14)20-17(13-33(32-20)8-5-27-12-19-28-6-9-36-19)31-22(35)16-11-30-34-7-1-4-29-21(16)34/h1-4,6-7,9-11,13,23,27H,5,8,12H2,(H,31,35).
What are the key properties of N-[3-[5-chloro-2-(difluoromethoxy)phenyl]-1-[2-(1,3-oxazol-2-ylmethylamino)ethyl]pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
N-[3-[5-chloro-2-(difluoromethoxy)phenyl]-1-[2-(1,3-oxazol-2-ylmethylamino)ethyl]pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 528.91 g/mol, XLogP of 3.88, 10 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[5-chloro-2-(difluoromethoxy)phenyl]-1-[2-(1,3-oxazol-2-ylmethylamino)ethyl]pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 118522737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).