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

C22H24ClN7O3 — CID 70495989

IUPAC2-amino-N-[3-(5-chloro-2-methoxyphenyl)-1-(2-hydroxy-2-methylbutyl)pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCCC(C)(O)Cn1cc(NC(=O)c2c(N)nn3cccnc23)c(-c2cc(Cl)ccc2OC)n1
InChIInChI=1S/C22H24ClN7O3/c1-4-22(2,32)12-29-11-15(18(27-29)14-10-13(23)6-7-16(14)33-3)26-21(31)17-19(24)28-30-9-5-8-25-20(17)30/h5-11,32H,4,12H2,1-3H3,(H2,24,28)(H,26,31)
InChIKeyCAYFTWXEBCLVSG-UHFFFAOYSA-N
MW469.93 g/mol
LogP3.25
Rot. Bonds7

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

2-amino-N-[3-(5-chloro-2-methoxyphenyl)-1-(2-hydroxy-2-methylbutyl)pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 70495989) has the molecular formula C22H24ClN7O3 and a molecular weight of 469.93 g/mol. Its IUPAC name is 2-amino-N-[3-(5-chloro-2-methoxyphenyl)-1-(2-hydroxy-2-methylbutyl)pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound Name2-amino-N-[3-(5-chloro-2-methoxyphenyl)-1-(2-hydroxy-2-methylbutyl)pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
PubChem CID70495989
Molecular FormulaC22H24ClN7O3
Molecular Weight469.93 g/mol
Exact Mass469.16
IUPAC Name2-amino-N-[3-(5-chloro-2-methoxyphenyl)-1-(2-hydroxy-2-methylbutyl)pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCCC(C)(O)Cn1cc(NC(=O)c2c(N)nn3cccnc23)c(-c2cc(Cl)ccc2OC)n1
InChIInChI=1S/C22H24ClN7O3/c1-4-22(2,32)12-29-11-15(18(27-29)14-10-13(23)6-7-16(14)33-3)26-21(31)17-19(24)28-30-9-5-8-25-20(17)30/h5-11,32H,4,12H2,1-3H3,(H2,24,28)(H,26,31)
InChIKeyCAYFTWXEBCLVSG-UHFFFAOYSA-N
XLogP3.25
TPSA132.59 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500469.93
LogP ≤ 53.25
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

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Related Compounds

2-amino-N-[3-(5-chloro-2-methoxyphenyl)-1-(2-hydroxy-3-methoxypropyl)pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 70495885
2-amino-N-[3-(5-chloro-2-methoxyphenyl)-1-[2-(cyclopentylamino)-2-oxoethyl]pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 70495976
2-amino-N-[3-[5-chloro-2-(difluoromethoxy)phenyl]-1-[2-(dimethylamino)-2-oxoethyl]pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 135378802
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
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
2-amino-N-[3-[5-chloro-2-(difluoromethoxy)phenyl]-1-[2-[(3R)-3-hydroxypyrrolidin-1-yl]-2-oxoethyl]pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 118522794
2-amino-N-[3-[5-chloro-2-(difluoromethoxy)phenyl]-1-[2-[4-(hydroxymethyl)piperidin-1-yl]-2-oxoethyl]pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 118522572
2-amino-N-[3-[5-chloro-2-(difluoromethoxy)phenyl]-1-[2-(3,3-difluoropyrrolidin-1-yl)-2-oxoethyl]pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 118522642
2-[4-[[(2-aminopyrazolo[1,5-a]pyrimidin-3-yl)-hydroxymethyl]amino]-3-(5-chloro-2-methoxyphenyl)pyrazol-1-yl]acetonitrile
CID 123287394
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-[methyl(pentan-3-yl)amino]-2-oxoethyl]pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 70495851

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[3-(5-chloro-2-methoxyphenyl)-1-(2-hydroxy-2-methylbutyl)pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The IUPAC name of 2-amino-N-[3-(5-chloro-2-methoxyphenyl)-1-(2-hydroxy-2-methylbutyl)pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 70495989) is 2-amino-N-[3-(5-chloro-2-methoxyphenyl)-1-(2-hydroxy-2-methylbutyl)pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide.
What is the SMILES notation for 2-amino-N-[3-(5-chloro-2-methoxyphenyl)-1-(2-hydroxy-2-methylbutyl)pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The canonical SMILES for 2-amino-N-[3-(5-chloro-2-methoxyphenyl)-1-(2-hydroxy-2-methylbutyl)pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide is CCC(C)(O)Cn1cc(NC(=O)c2c(N)nn3cccnc23)c(-c2cc(Cl)ccc2OC)n1.
What is the InChIKey of 2-amino-N-[3-(5-chloro-2-methoxyphenyl)-1-(2-hydroxy-2-methylbutyl)pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The InChIKey is CAYFTWXEBCLVSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24ClN7O3/c1-4-22(2,32)12-29-11-15(18(27-29)14-10-13(23)6-7-16(14)33-3)26-21(31)17-19(24)28-30-9-5-8-25-20(17)30/h5-11,32H,4,12H2,1-3H3,(H2,24,28)(H,26,31).
What are the key properties of 2-amino-N-[3-(5-chloro-2-methoxyphenyl)-1-(2-hydroxy-2-methylbutyl)pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
2-amino-N-[3-(5-chloro-2-methoxyphenyl)-1-(2-hydroxy-2-methylbutyl)pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 469.93 g/mol, XLogP of 3.25, 7 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[3-(5-chloro-2-methoxyphenyl)-1-(2-hydroxy-2-methylbutyl)pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 70495989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).