N-[3-(3-chlorophenyl)-1-propan-2-ylpyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide

C19H17ClN6O — CID 66851201

IUPACN-[3-(3-chlorophenyl)-1-propan-2-ylpyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCC(C)n1cc(NC(=O)c2cnn3cccnc23)c(-c2cccc(Cl)c2)n1
InChIInChI=1S/C19H17ClN6O/c1-12(2)26-11-16(17(24-26)13-5-3-6-14(20)9-13)23-19(27)15-10-22-25-8-4-7-21-18(15)25/h3-12H,1-2H3,(H,23,27)
InChIKeyVWALRDJXAAKPSP-UHFFFAOYSA-N
MW380.84 g/mol
LogP4.08
Rot. Bonds4

About N-[3-(3-chlorophenyl)-1-propan-2-ylpyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide

N-[3-(3-chlorophenyl)-1-propan-2-ylpyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 66851201) has the molecular formula C19H17ClN6O and a molecular weight of 380.84 g/mol. Its IUPAC name is N-[3-(3-chlorophenyl)-1-propan-2-ylpyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound NameN-[3-(3-chlorophenyl)-1-propan-2-ylpyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
PubChem CID66851201
Molecular FormulaC19H17ClN6O
Molecular Weight380.84 g/mol
Exact Mass380.12
IUPAC NameN-[3-(3-chlorophenyl)-1-propan-2-ylpyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCC(C)n1cc(NC(=O)c2cnn3cccnc23)c(-c2cccc(Cl)c2)n1
InChIInChI=1S/C19H17ClN6O/c1-12(2)26-11-16(17(24-26)13-5-3-6-14(20)9-13)23-19(27)15-10-22-25-8-4-7-21-18(15)25/h3-12H,1-2H3,(H,23,27)
InChIKeyVWALRDJXAAKPSP-UHFFFAOYSA-N
XLogP4.08
TPSA77.11 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.84
LogP ≤ 54.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

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-(5-chloro-2-methoxyphenyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 755928
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-[5-chloro-2-(2-hydroxyethoxy)phenyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 66664748
N-[5-chloro-2-(2-methoxyethoxy)phenyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 66664795
N-(2-phenylphenyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 58056308
N-[3-(5-chloro-2-methoxyphenyl)-1-[2-(cyclobutylamino)-1-fluoro-2-oxoethyl]pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 70496682
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-(2-hydroxyphenyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 19414443
2-[3-(5-chloro-2-methoxyphenyl)-4-(pyrazolo[1,5-a]pyrimidine-3-carbonylamino)pyrazol-1-yl]acetic acid
CID 66879664
N-(5-chloro-2-pyrrolidin-1-ylphenyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 58056141
N-[3-(5-chloro-2-methoxyphenyl)-1-(2-oxoethyl)pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
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Frequently Asked Questions

What is the IUPAC name of N-[3-(3-chlorophenyl)-1-propan-2-ylpyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The IUPAC name of N-[3-(3-chlorophenyl)-1-propan-2-ylpyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 66851201) is N-[3-(3-chlorophenyl)-1-propan-2-ylpyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide.
What is the SMILES notation for N-[3-(3-chlorophenyl)-1-propan-2-ylpyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The canonical SMILES for N-[3-(3-chlorophenyl)-1-propan-2-ylpyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide is CC(C)n1cc(NC(=O)c2cnn3cccnc23)c(-c2cccc(Cl)c2)n1.
What is the InChIKey of N-[3-(3-chlorophenyl)-1-propan-2-ylpyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The InChIKey is VWALRDJXAAKPSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17ClN6O/c1-12(2)26-11-16(17(24-26)13-5-3-6-14(20)9-13)23-19(27)15-10-22-25-8-4-7-21-18(15)25/h3-12H,1-2H3,(H,23,27).
What are the key properties of N-[3-(3-chlorophenyl)-1-propan-2-ylpyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
N-[3-(3-chlorophenyl)-1-propan-2-ylpyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 380.84 g/mol, XLogP of 4.08, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(3-chlorophenyl)-1-propan-2-ylpyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 66851201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).