N-[3-(5-cyano-2-methoxyphenyl)-1-[(1-hydroxycyclopentyl)methyl]pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide

C24H23N7O3 — CID 70497879

IUPACN-[3-(5-cyano-2-methoxyphenyl)-1-[(1-hydroxycyclopentyl)methyl]pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCOc1ccc(C#N)cc1-c1nn(CC2(O)CCCC2)cc1NC(=O)c1cnn2cccnc12
InChIInChI=1S/C24H23N7O3/c1-34-20-6-5-16(12-25)11-17(20)21-19(14-30(29-21)15-24(33)7-2-3-8-24)28-23(32)18-13-27-31-10-4-9-26-22(18)31/h4-6,9-11,13-14,33H,2-3,7-8,15H2,1H3,(H,28,32)
InChIKeyBVMSQKXHZARQEQ-UHFFFAOYSA-N
MW457.49 g/mol
LogP3.03
Rot. Bonds6

About N-[3-(5-cyano-2-methoxyphenyl)-1-[(1-hydroxycyclopentyl)methyl]pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide

N-[3-(5-cyano-2-methoxyphenyl)-1-[(1-hydroxycyclopentyl)methyl]pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 70497879) has the molecular formula C24H23N7O3 and a molecular weight of 457.49 g/mol. Its IUPAC name is N-[3-(5-cyano-2-methoxyphenyl)-1-[(1-hydroxycyclopentyl)methyl]pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound NameN-[3-(5-cyano-2-methoxyphenyl)-1-[(1-hydroxycyclopentyl)methyl]pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
PubChem CID70497879
Molecular FormulaC24H23N7O3
Molecular Weight457.49 g/mol
Exact Mass457.19
IUPAC NameN-[3-(5-cyano-2-methoxyphenyl)-1-[(1-hydroxycyclopentyl)methyl]pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCOc1ccc(C#N)cc1-c1nn(CC2(O)CCCC2)cc1NC(=O)c1cnn2cccnc12
InChIInChI=1S/C24H23N7O3/c1-34-20-6-5-16(12-25)11-17(20)21-19(14-30(29-21)15-24(33)7-2-3-8-24)28-23(32)18-13-27-31-10-4-9-26-22(18)31/h4-6,9-11,13-14,33H,2-3,7-8,15H2,1H3,(H,28,32)
InChIKeyBVMSQKXHZARQEQ-UHFFFAOYSA-N
XLogP3.03
TPSA130.36 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500457.49
LogP ≤ 53.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of N-[3-(5-cyano-2-methoxyphenyl)-1-[(1-hydroxycyclopentyl)methyl]pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The IUPAC name of N-[3-(5-cyano-2-methoxyphenyl)-1-[(1-hydroxycyclopentyl)methyl]pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 70497879) is N-[3-(5-cyano-2-methoxyphenyl)-1-[(1-hydroxycyclopentyl)methyl]pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide.
What is the SMILES notation for N-[3-(5-cyano-2-methoxyphenyl)-1-[(1-hydroxycyclopentyl)methyl]pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The canonical SMILES for N-[3-(5-cyano-2-methoxyphenyl)-1-[(1-hydroxycyclopentyl)methyl]pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide is COc1ccc(C#N)cc1-c1nn(CC2(O)CCCC2)cc1NC(=O)c1cnn2cccnc12.
What is the InChIKey of N-[3-(5-cyano-2-methoxyphenyl)-1-[(1-hydroxycyclopentyl)methyl]pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The InChIKey is BVMSQKXHZARQEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23N7O3/c1-34-20-6-5-16(12-25)11-17(20)21-19(14-30(29-21)15-24(33)7-2-3-8-24)28-23(32)18-13-27-31-10-4-9-26-22(18)31/h4-6,9-11,13-14,33H,2-3,7-8,15H2,1H3,(H,28,32).
What are the key properties of N-[3-(5-cyano-2-methoxyphenyl)-1-[(1-hydroxycyclopentyl)methyl]pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
N-[3-(5-cyano-2-methoxyphenyl)-1-[(1-hydroxycyclopentyl)methyl]pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 457.49 g/mol, XLogP of 3.03, 6 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(5-cyano-2-methoxyphenyl)-1-[(1-hydroxycyclopentyl)methyl]pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 70497879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).