N-(3-chlorophenyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide

C13H9ClN4O — CID 2226541

IUPACN-(3-chlorophenyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESO=C(Nc1cccc(Cl)c1)c1cnn2cccnc12
InChIInChI=1S/C13H9ClN4O/c14-9-3-1-4-10(7-9)17-13(19)11-8-16-18-6-2-5-15-12(11)18/h1-8H,(H,17,19)
InChIKeyBQWYLULTMMYNLR-UHFFFAOYSA-N
MW272.70 g/mol
LogP2.63
Rot. Bonds2

About N-(3-chlorophenyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide

N-(3-chlorophenyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 2226541) has the molecular formula C13H9ClN4O and a molecular weight of 272.70 g/mol. Its IUPAC name is N-(3-chlorophenyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound NameN-(3-chlorophenyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
PubChem CID2226541
Molecular FormulaC13H9ClN4O
Molecular Weight272.70 g/mol
Exact Mass272.05
IUPAC NameN-(3-chlorophenyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESO=C(Nc1cccc(Cl)c1)c1cnn2cccnc12
InChIInChI=1S/C13H9ClN4O/c14-9-3-1-4-10(7-9)17-13(19)11-8-16-18-6-2-5-15-12(11)18/h1-8H,(H,17,19)
InChIKeyBQWYLULTMMYNLR-UHFFFAOYSA-N
XLogP2.63
TPSA59.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.70
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-ethynylphenyl)-5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 46907762
N-{2-[4-(aminomethyl)piperidin-1-yl]-5-chlorophenyl}-6-hydroxypyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 58056241
4-N,6-N-bis(3-chlorophenyl)-1-methylpyrazolo[3,4-d]pyrimidine-4,6-diamine
CID 223753
CU-CPT-8m
CID 15042086
N-[1-(3-Chlorophenyl)-3-Methyl-1h-Pyrazol-5-Yl]pyrazolo[1,5-A]pyrimidine-3-Carboxamide
CID 70496411
3-(3-aminophenyl)-N-(3-chlorophenyl)pyrazolo(1,5-a)pyrimidin-5-amine
CID 6419789
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
N-[3-(2,5-dichlorophenyl)-1-methylpyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 70496595
Flt3/itd-IN-3
CID 163408822
N-(3-methyl-1-phenyl-1H-pyrazol-5-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 1247796

Frequently Asked Questions

What is the IUPAC name of N-(3-chlorophenyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The IUPAC name of N-(3-chlorophenyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 2226541) is N-(3-chlorophenyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide.
What is the SMILES notation for N-(3-chlorophenyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The canonical SMILES for N-(3-chlorophenyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide is O=C(Nc1cccc(Cl)c1)c1cnn2cccnc12.
What is the InChIKey of N-(3-chlorophenyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The InChIKey is BQWYLULTMMYNLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9ClN4O/c14-9-3-1-4-10(7-9)17-13(19)11-8-16-18-6-2-5-15-12(11)18/h1-8H,(H,17,19).
What are the key properties of N-(3-chlorophenyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
N-(3-chlorophenyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 272.70 g/mol, XLogP of 2.63, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chlorophenyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 2226541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).