2-[3-(5-chloro-2-methoxyphenyl)-4-(pyrazolo[1,5-a]pyrimidine-3-carbonylamino)pyrazol-1-yl]acetic acid

C19H15ClN6O4 — CID 66879664

IUPAC2-[3-(5-chloro-2-methoxyphenyl)-4-(pyrazolo[1,5-a]pyrimidine-3-carbonylamino)pyrazol-1-yl]acetic acid
SMILESCOc1ccc(Cl)cc1-c1nn(CC(=O)O)cc1NC(=O)c1cnn2cccnc12
InChIInChI=1S/C19H15ClN6O4/c1-30-15-4-3-11(20)7-12(15)17-14(9-25(24-17)10-16(27)28)23-19(29)13-8-22-26-6-2-5-21-18(13)26/h2-9H,10H2,1H3,(H,23,29)(H,27,28)
InChIKeyIMHQQPIHTHAMFL-UHFFFAOYSA-N
MW426.82 g/mol
LogP2.59
Rot. Bonds6

About 2-[3-(5-chloro-2-methoxyphenyl)-4-(pyrazolo[1,5-a]pyrimidine-3-carbonylamino)pyrazol-1-yl]acetic acid

2-[3-(5-chloro-2-methoxyphenyl)-4-(pyrazolo[1,5-a]pyrimidine-3-carbonylamino)pyrazol-1-yl]acetic acid (PubChem CID 66879664) has the molecular formula C19H15ClN6O4 and a molecular weight of 426.82 g/mol. Its IUPAC name is 2-[3-(5-chloro-2-methoxyphenyl)-4-(pyrazolo[1,5-a]pyrimidine-3-carbonylamino)pyrazol-1-yl]acetic acid.

Molecular Properties

Compound Name2-[3-(5-chloro-2-methoxyphenyl)-4-(pyrazolo[1,5-a]pyrimidine-3-carbonylamino)pyrazol-1-yl]acetic acid
PubChem CID66879664
Molecular FormulaC19H15ClN6O4
Molecular Weight426.82 g/mol
Exact Mass426.08
IUPAC Name2-[3-(5-chloro-2-methoxyphenyl)-4-(pyrazolo[1,5-a]pyrimidine-3-carbonylamino)pyrazol-1-yl]acetic acid
SMILESCOc1ccc(Cl)cc1-c1nn(CC(=O)O)cc1NC(=O)c1cnn2cccnc12
InChIInChI=1S/C19H15ClN6O4/c1-30-15-4-3-11(20)7-12(15)17-14(9-25(24-17)10-16(27)28)23-19(29)13-8-22-26-6-2-5-21-18(13)26/h2-9H,10H2,1H3,(H,23,29)(H,27,28)
InChIKeyIMHQQPIHTHAMFL-UHFFFAOYSA-N
XLogP2.59
TPSA123.64 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.82
LogP ≤ 52.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

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-oxoethyl)pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 154961995
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-[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-[methyl(pentan-3-yl)amino]-2-oxoethyl]pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 70495851
N-[3-(5-chloro-2-methoxyphenyl)-1-[2-oxo-2-(1,1,1-trifluoropropan-2-ylamino)ethyl]pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 70495636
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-[(5-oxopyrrolidin-2-yl)methyl]pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 70496643
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-[2-(cyclopropanecarbonylamino)ethyl]pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 70497231
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
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

Frequently Asked Questions

What is the IUPAC name of 2-[3-(5-chloro-2-methoxyphenyl)-4-(pyrazolo[1,5-a]pyrimidine-3-carbonylamino)pyrazol-1-yl]acetic acid?
The IUPAC name of 2-[3-(5-chloro-2-methoxyphenyl)-4-(pyrazolo[1,5-a]pyrimidine-3-carbonylamino)pyrazol-1-yl]acetic acid (CID 66879664) is 2-[3-(5-chloro-2-methoxyphenyl)-4-(pyrazolo[1,5-a]pyrimidine-3-carbonylamino)pyrazol-1-yl]acetic acid.
What is the SMILES notation for 2-[3-(5-chloro-2-methoxyphenyl)-4-(pyrazolo[1,5-a]pyrimidine-3-carbonylamino)pyrazol-1-yl]acetic acid?
The canonical SMILES for 2-[3-(5-chloro-2-methoxyphenyl)-4-(pyrazolo[1,5-a]pyrimidine-3-carbonylamino)pyrazol-1-yl]acetic acid is COc1ccc(Cl)cc1-c1nn(CC(=O)O)cc1NC(=O)c1cnn2cccnc12.
What is the InChIKey of 2-[3-(5-chloro-2-methoxyphenyl)-4-(pyrazolo[1,5-a]pyrimidine-3-carbonylamino)pyrazol-1-yl]acetic acid?
The InChIKey is IMHQQPIHTHAMFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15ClN6O4/c1-30-15-4-3-11(20)7-12(15)17-14(9-25(24-17)10-16(27)28)23-19(29)13-8-22-26-6-2-5-21-18(13)26/h2-9H,10H2,1H3,(H,23,29)(H,27,28).
What are the key properties of 2-[3-(5-chloro-2-methoxyphenyl)-4-(pyrazolo[1,5-a]pyrimidine-3-carbonylamino)pyrazol-1-yl]acetic acid?
2-[3-(5-chloro-2-methoxyphenyl)-4-(pyrazolo[1,5-a]pyrimidine-3-carbonylamino)pyrazol-1-yl]acetic acid has a molecular weight of 426.82 g/mol, XLogP of 2.59, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(5-chloro-2-methoxyphenyl)-4-(pyrazolo[1,5-a]pyrimidine-3-carbonylamino)pyrazol-1-yl]acetic acid is sourced from PubChem (CID 66879664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).