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

C22H20ClN7O3 — CID 70496643

IUPACN-[3-(5-chloro-2-methoxyphenyl)-1-[(5-oxopyrrolidin-2-yl)methyl]pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCOc1ccc(Cl)cc1-c1nn(CC2CCC(=O)N2)cc1NC(=O)c1cnn2cccnc12
InChIInChI=1S/C22H20ClN7O3/c1-33-18-5-3-13(23)9-15(18)20-17(12-29(28-20)11-14-4-6-19(31)26-14)27-22(32)16-10-25-30-8-2-7-24-21(16)30/h2-3,5,7-10,12,14H,4,6,11H2,1H3,(H,26,31)(H,27,32)
InChIKeyYASVSKUIQIXTNR-UHFFFAOYSA-N
MW465.90 g/mol
LogP2.79
Rot. Bonds6

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

N-[3-(5-chloro-2-methoxyphenyl)-1-[(5-oxopyrrolidin-2-yl)methyl]pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 70496643) has the molecular formula C22H20ClN7O3 and a molecular weight of 465.90 g/mol. Its IUPAC name is N-[3-(5-chloro-2-methoxyphenyl)-1-[(5-oxopyrrolidin-2-yl)methyl]pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound NameN-[3-(5-chloro-2-methoxyphenyl)-1-[(5-oxopyrrolidin-2-yl)methyl]pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
PubChem CID70496643
Molecular FormulaC22H20ClN7O3
Molecular Weight465.90 g/mol
Exact Mass465.13
IUPAC NameN-[3-(5-chloro-2-methoxyphenyl)-1-[(5-oxopyrrolidin-2-yl)methyl]pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCOc1ccc(Cl)cc1-c1nn(CC2CCC(=O)N2)cc1NC(=O)c1cnn2cccnc12
InChIInChI=1S/C22H20ClN7O3/c1-33-18-5-3-13(23)9-15(18)20-17(12-29(28-20)11-14-4-6-19(31)26-14)27-22(32)16-10-25-30-8-2-7-24-21(16)30/h2-3,5,7-10,12,14H,4,6,11H2,1H3,(H,26,31)(H,27,32)
InChIKeyYASVSKUIQIXTNR-UHFFFAOYSA-N
XLogP2.79
TPSA115.44 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500465.90
LogP ≤ 52.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

2-[3-(5-chloro-2-methoxyphenyl)-4-(pyrazolo[1,5-a]pyrimidine-3-carbonylamino)pyrazol-1-yl]acetic acid
CID 66879664
N-[3-(5-chloro-2-methoxyphenyl)-1-(2-oxoethyl)pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 154961995
N-[3-(5-chloro-2-methoxyphenyl)-1-[2-(cyclopropanecarbonylamino)ethyl]pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 70497231
N-[3-(5-chloro-2-methoxyphenyl)-1-[2-[methyl(propan-2-yl)amino]-2-oxoethyl]pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 70496991
N-[3-(5-chloro-2-methoxyphenyl)-1-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 70497374
N-[3-(5-chloro-2-methoxyphenyl)-1-[2-[3-(hydroxymethyl)pyrrolidin-1-yl]ethyl]pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 70496734
N-[3-(5-chloro-2-methoxyphenyl)-1-[2-(cyanoamino)-2-oxoethyl]pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 88710033
N-[3-(5-chloro-2-methoxyphenyl)-1-[(2R)-2,3-dihydroxy-3-methylbutyl]pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 70495965
N-[3-(5-chloro-2-methoxyphenyl)-1-[2-[3-(hydroxymethyl)pyrrolidin-1-yl]-2-oxoethyl]pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 70497937
N-[3-(5-chloro-2-methoxyphenyl)-1-(oxetan-3-yl)pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 70496856
N-[3-(5-chloro-2-methoxyphenyl)-1-[2-[methyl(pentan-3-yl)amino]-2-oxoethyl]pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 70495851
N-[1-(1-amino-1-oxopropan-2-yl)-3-(5-chloro-2-methoxyphenyl)pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 70496673

Frequently Asked Questions

What is the IUPAC name of N-[3-(5-chloro-2-methoxyphenyl)-1-[(5-oxopyrrolidin-2-yl)methyl]pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The IUPAC name of N-[3-(5-chloro-2-methoxyphenyl)-1-[(5-oxopyrrolidin-2-yl)methyl]pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 70496643) is N-[3-(5-chloro-2-methoxyphenyl)-1-[(5-oxopyrrolidin-2-yl)methyl]pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide.
What is the SMILES notation for N-[3-(5-chloro-2-methoxyphenyl)-1-[(5-oxopyrrolidin-2-yl)methyl]pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The canonical SMILES for N-[3-(5-chloro-2-methoxyphenyl)-1-[(5-oxopyrrolidin-2-yl)methyl]pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide is COc1ccc(Cl)cc1-c1nn(CC2CCC(=O)N2)cc1NC(=O)c1cnn2cccnc12.
What is the InChIKey of N-[3-(5-chloro-2-methoxyphenyl)-1-[(5-oxopyrrolidin-2-yl)methyl]pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The InChIKey is YASVSKUIQIXTNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20ClN7O3/c1-33-18-5-3-13(23)9-15(18)20-17(12-29(28-20)11-14-4-6-19(31)26-14)27-22(32)16-10-25-30-8-2-7-24-21(16)30/h2-3,5,7-10,12,14H,4,6,11H2,1H3,(H,26,31)(H,27,32).
What are the key properties of N-[3-(5-chloro-2-methoxyphenyl)-1-[(5-oxopyrrolidin-2-yl)methyl]pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
N-[3-(5-chloro-2-methoxyphenyl)-1-[(5-oxopyrrolidin-2-yl)methyl]pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 465.90 g/mol, XLogP of 2.79, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(5-chloro-2-methoxyphenyl)-1-[(5-oxopyrrolidin-2-yl)methyl]pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 70496643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).