N-[1-(1-amino-5-methyloctan-3-yl)-3-[5-chloro-2-(difluoromethoxy)phenyl]pyrazol-4-yl]-2-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide

C27H32ClF2N7O2 — CID 155472485

About N-[1-(1-amino-5-methyloctan-3-yl)-3-[5-chloro-2-(difluoromethoxy)phenyl]pyrazol-4-yl]-2-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide

N-[1-(1-amino-5-methyloctan-3-yl)-3-[5-chloro-2-(difluoromethoxy)phenyl]pyrazol-4-yl]-2-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 155472485) has the molecular formula C27H32ClF2N7O2 and a molecular weight of 560.05 g/mol. Its IUPAC name is N-[1-(1-amino-5-methyloctan-3-yl)-3-[5-chloro-2-(difluoromethoxy)phenyl]pyrazol-4-yl]-2-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

• Compound Name: N-[1-(1-amino-5-methyloctan-3-yl)-3-[5-chloro-2-(difluoromethoxy)phenyl]pyrazol-4-yl]-2-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide
• PubChem CID: 155472485
• Molecular Formula: C27H32ClF2N7O2
• Molecular Weight: 560.05 g/mol
• Exact Mass: 559.23
• IUPAC Name: N-[1-(1-amino-5-methyloctan-3-yl)-3-[5-chloro-2-(difluoromethoxy)phenyl]pyrazol-4-yl]-2-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide
• SMILES: CCCC(C)CC(CCN)n1cc(NC(=O)c2c(C)nn3cccnc23)c(-c2cc(Cl)ccc2OC(F)F)n1
• InChI: InChI=1S/C27H32ClF2N7O2/c1-4-6-16(2)13-19(9-10-31)37-15-21(24(35-37)20-14-18(28)7-8-22(20)39-27(29)30)33-26(38)23-17(3)34-36-12-5-11-32-25(23)36/h5,7-8,11-12,14-16,19,27H,4,6,9-10,13,31H2,1-3H3,(H,33,38)
• InChIKey: WOSGYGDDNDIMED-UHFFFAOYSA-N
• XLogP: 6.12
• TPSA: 112.36 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 12
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	560.05
LogP ≤ 5	6.12
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of N-[1-(1-amino-5-methyloctan-3-yl)-3-[5-chloro-2-(difluoromethoxy)phenyl]pyrazol-4-yl]-2-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide?

The IUPAC name of N-[1-(1-amino-5-methyloctan-3-yl)-3-[5-chloro-2-(difluoromethoxy)phenyl]pyrazol-4-yl]-2-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 155472485) is N-[1-(1-amino-5-methyloctan-3-yl)-3-[5-chloro-2-(difluoromethoxy)phenyl]pyrazol-4-yl]-2-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide.

What is the SMILES notation for N-[1-(1-amino-5-methyloctan-3-yl)-3-[5-chloro-2-(difluoromethoxy)phenyl]pyrazol-4-yl]-2-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide?

The canonical SMILES for N-[1-(1-amino-5-methyloctan-3-yl)-3-[5-chloro-2-(difluoromethoxy)phenyl]pyrazol-4-yl]-2-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide is CCCC(C)CC(CCN)n1cc(NC(=O)c2c(C)nn3cccnc23)c(-c2cc(Cl)ccc2OC(F)F)n1.

What is the InChIKey of N-[1-(1-amino-5-methyloctan-3-yl)-3-[5-chloro-2-(difluoromethoxy)phenyl]pyrazol-4-yl]-2-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide?

The InChIKey is WOSGYGDDNDIMED-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H32ClF2N7O2/c1-4-6-16(2)13-19(9-10-31)37-15-21(24(35-37)20-14-18(28)7-8-22(20)39-27(29)30)33-26(38)23-17(3)34-36-12-5-11-32-25(23)36/h5,7-8,11-12,14-16,19,27H,4,6,9-10,13,31H2,1-3H3,(H,33,38).

What are the key properties of N-[1-(1-amino-5-methyloctan-3-yl)-3-[5-chloro-2-(difluoromethoxy)phenyl]pyrazol-4-yl]-2-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide?

N-[1-(1-amino-5-methyloctan-3-yl)-3-[5-chloro-2-(difluoromethoxy)phenyl]pyrazol-4-yl]-2-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 560.05 g/mol, XLogP of 6.12, 12 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for N-[1-(1-amino-5-methyloctan-3-yl)-3-[5-chloro-2-(difluoromethoxy)phenyl]pyrazol-4-yl]-2-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 155472485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).