7-(1,5-dimethylpyrazol-4-yl)-N-hexylpyrazolo[1,5-a]pyrimidine-2-carboxamide

C18H24N6O — CID 19466483

IUPAC7-(1,5-dimethylpyrazol-4-yl)-N-hexylpyrazolo[1,5-a]pyrimidine-2-carboxamide
SMILESCCCCCCNC(=O)c1cc2nccc(-c3cnn(C)c3C)n2n1
InChIInChI=1S/C18H24N6O/c1-4-5-6-7-9-20-18(25)15-11-17-19-10-8-16(24(17)22-15)14-12-21-23(3)13(14)2/h8,10-12H,4-7,9H2,1-3H3,(H,20,25)
InChIKeyVNAKVGFFJAXIKA-UHFFFAOYSA-N
MW340.43 g/mol
LogP2.75
Rot. Bonds7

About 7-(1,5-dimethylpyrazol-4-yl)-N-hexylpyrazolo[1,5-a]pyrimidine-2-carboxamide

7-(1,5-dimethylpyrazol-4-yl)-N-hexylpyrazolo[1,5-a]pyrimidine-2-carboxamide (PubChem CID 19466483) has the molecular formula C18H24N6O and a molecular weight of 340.43 g/mol. Its IUPAC name is 7-(1,5-dimethylpyrazol-4-yl)-N-hexylpyrazolo[1,5-a]pyrimidine-2-carboxamide.

Molecular Properties

Compound Name7-(1,5-dimethylpyrazol-4-yl)-N-hexylpyrazolo[1,5-a]pyrimidine-2-carboxamide
PubChem CID19466483
Molecular FormulaC18H24N6O
Molecular Weight340.43 g/mol
Exact Mass340.20
IUPAC Name7-(1,5-dimethylpyrazol-4-yl)-N-hexylpyrazolo[1,5-a]pyrimidine-2-carboxamide
SMILESCCCCCCNC(=O)c1cc2nccc(-c3cnn(C)c3C)n2n1
InChIInChI=1S/C18H24N6O/c1-4-5-6-7-9-20-18(25)15-11-17-19-10-8-16(24(17)22-15)14-12-21-23(3)13(14)2/h8,10-12H,4-7,9H2,1-3H3,(H,20,25)
InChIKeyVNAKVGFFJAXIKA-UHFFFAOYSA-N
XLogP2.75
TPSA77.11 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.43
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[3-(dimethylamino)propyl]-7-(1-ethyl-5-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 19468764
7-(1,5-dimethylpyrazol-4-yl)-N-(2-morpholin-4-ylethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 19468313
N-butan-2-yl-7-(1,5-dimethylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 19466570
N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-7-(1-ethyl-5-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 19468807
N-butyl-4-(1,5-dimethylpyrazol-4-yl)pyridine-2-carboxamide
CID 171676419
7-(1-ethyl-5-methylpyrazol-4-yl)-N-(2-sulfanylethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 19468755
7-(4-bromo-1-ethylpyrazol-3-yl)-N-hexylpyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 19468377
7-(1,5-dimethylpyrazol-4-yl)-N-(oxolan-2-ylmethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 19466461
methyl 2-[[7-(1-ethyl-5-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidine-2-carbonyl]amino]acetate
CID 19414314
N-cyclohexyl-7-(1-ethyl-5-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 19468763
7-(1,5-dimethylpyrazol-4-yl)-N-[3-[(1-methylpyrazole-3-carbonyl)amino]phenyl]pyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 19468297
7-(1-ethyl-5-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidine-2-carboxylic acid
CID 4776201

Frequently Asked Questions

What is the IUPAC name of 7-(1,5-dimethylpyrazol-4-yl)-N-hexylpyrazolo[1,5-a]pyrimidine-2-carboxamide?
The IUPAC name of 7-(1,5-dimethylpyrazol-4-yl)-N-hexylpyrazolo[1,5-a]pyrimidine-2-carboxamide (CID 19466483) is 7-(1,5-dimethylpyrazol-4-yl)-N-hexylpyrazolo[1,5-a]pyrimidine-2-carboxamide.
What is the SMILES notation for 7-(1,5-dimethylpyrazol-4-yl)-N-hexylpyrazolo[1,5-a]pyrimidine-2-carboxamide?
The canonical SMILES for 7-(1,5-dimethylpyrazol-4-yl)-N-hexylpyrazolo[1,5-a]pyrimidine-2-carboxamide is CCCCCCNC(=O)c1cc2nccc(-c3cnn(C)c3C)n2n1.
What is the InChIKey of 7-(1,5-dimethylpyrazol-4-yl)-N-hexylpyrazolo[1,5-a]pyrimidine-2-carboxamide?
The InChIKey is VNAKVGFFJAXIKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N6O/c1-4-5-6-7-9-20-18(25)15-11-17-19-10-8-16(24(17)22-15)14-12-21-23(3)13(14)2/h8,10-12H,4-7,9H2,1-3H3,(H,20,25).
What are the key properties of 7-(1,5-dimethylpyrazol-4-yl)-N-hexylpyrazolo[1,5-a]pyrimidine-2-carboxamide?
7-(1,5-dimethylpyrazol-4-yl)-N-hexylpyrazolo[1,5-a]pyrimidine-2-carboxamide has a molecular weight of 340.43 g/mol, XLogP of 2.75, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(1,5-dimethylpyrazol-4-yl)-N-hexylpyrazolo[1,5-a]pyrimidine-2-carboxamide is sourced from PubChem (CID 19466483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).