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

C35H28Cl2N12O2 — CID 158294962

IUPACN-[3-(3-chlorophenyl)-1-propan-2-ylpyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[5-(3-chlorophenyl)-1H-pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCC(C)n1cc(NC(=O)c2cnn3cccnc23)c(-c2cccc(Cl)c2)n1.O=C(Nc1cn[nH]c1-c1cccc(Cl)c1)c1cnn2cccnc12
InChIInChI=1S/C19H17ClN6O.C16H11ClN6O/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;17-11-4-1-3-10(7-11)14-13(9-19-22-14)21-16(24)12-8-20-23-6-2-5-18-15(12)23/h3-12H,1-2H3,(H,23,27);1-9H,(H,19,22)(H,21,24)
InChIKeyGLUMOLAPBWONEO-UHFFFAOYSA-N
MW719.60 g/mol
LogP7.10
Rot. Bonds7

About N-[3-(3-chlorophenyl)-1-propan-2-ylpyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[5-(3-chlorophenyl)-1H-pyrazol-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;N-[5-(3-chlorophenyl)-1H-pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 158294962) has the molecular formula C35H28Cl2N12O2 and a molecular weight of 719.60 g/mol. Its IUPAC name is N-[3-(3-chlorophenyl)-1-propan-2-ylpyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[5-(3-chlorophenyl)-1H-pyrazol-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;N-[5-(3-chlorophenyl)-1H-pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
PubChem CID158294962
Molecular FormulaC35H28Cl2N12O2
Molecular Weight719.60 g/mol
Exact Mass718.18
IUPAC NameN-[3-(3-chlorophenyl)-1-propan-2-ylpyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[5-(3-chlorophenyl)-1H-pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCC(C)n1cc(NC(=O)c2cnn3cccnc23)c(-c2cccc(Cl)c2)n1.O=C(Nc1cn[nH]c1-c1cccc(Cl)c1)c1cnn2cccnc12
InChIInChI=1S/C19H17ClN6O.C16H11ClN6O/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;17-11-4-1-3-10(7-11)14-13(9-19-22-14)21-16(24)12-8-20-23-6-2-5-18-15(12)23/h3-12H,1-2H3,(H,23,27);1-9H,(H,19,22)(H,21,24)
InChIKeyGLUMOLAPBWONEO-UHFFFAOYSA-N
XLogP7.10
TPSA165.08 Ų
H-Bond Donors3
H-Bond Acceptors11
Rotatable Bonds7
Heavy Atoms51
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500719.60
LogP ≤ 57.10
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1011

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Related Compounds

Pyrazolo[1,5-a]pyrimidine-3-carboxamide, 5-amino-N-[3-(2,5-dichlorophenyl)-1-methyl-1H-pyrazol-4-yl]-
CID 58063117
5-amino-N-[3-(5-chloro-2-methylphenyl)-1-methylpyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 58063121
5-amino-N-[3-(3-chlorophenyl)-1-methylpyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 58063225
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CID 66851323
N-[3-(2,5-dichlorophenyl)-1-methylpyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 70496595
N-[3-(5-chloro-2-methylphenyl)-1-methylpyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 71459077
N-[1-(2,6-dichlorobenzyl)-3,5-dimethyl-1H-pyrazol-4-yl]-7-(difluoromethyl)-5-phenylpyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 1761196
N-[1-(2-chlorobenzyl)-3,5-dimethyl-1H-pyrazol-4-yl]-7-(difluoromethyl)-5-(4-methylphenyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 1762943
N-(3-(3-chlorophenyl)pyridin-4-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 49857227
5-amino-N-[5-(3-chlorophenyl)-1H-pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 58063067
N-[3-(3-chlorophenyl)-1-methylpyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 66850717
N-(3-(3-chlorophenyl)-1H-pyrazol-4-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 66851197

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;N-[5-(3-chlorophenyl)-1H-pyrazol-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;N-[5-(3-chlorophenyl)-1H-pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 158294962) is N-[3-(3-chlorophenyl)-1-propan-2-ylpyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[5-(3-chlorophenyl)-1H-pyrazol-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;N-[5-(3-chlorophenyl)-1H-pyrazol-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;N-[5-(3-chlorophenyl)-1H-pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide is CC(C)n1cc(NC(=O)c2cnn3cccnc23)c(-c2cccc(Cl)c2)n1.O=C(Nc1cn[nH]c1-c1cccc(Cl)c1)c1cnn2cccnc12.
What is the InChIKey of N-[3-(3-chlorophenyl)-1-propan-2-ylpyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[5-(3-chlorophenyl)-1H-pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The InChIKey is GLUMOLAPBWONEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17ClN6O.C16H11ClN6O/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;17-11-4-1-3-10(7-11)14-13(9-19-22-14)21-16(24)12-8-20-23-6-2-5-18-15(12)23/h3-12H,1-2H3,(H,23,27);1-9H,(H,19,22)(H,21,24).
What are the key properties of N-[3-(3-chlorophenyl)-1-propan-2-ylpyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[5-(3-chlorophenyl)-1H-pyrazol-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;N-[5-(3-chlorophenyl)-1H-pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 719.60 g/mol, XLogP of 7.10, 7 rotatable bonds, 3 hydrogen bond donors, and 11 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;N-[5-(3-chlorophenyl)-1H-pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 158294962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).