cyclohexanecarboxylic acid;5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide

C16H22N4O3 — CID 145182096

IUPACcyclohexanecarboxylic acid;5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCc1cc(C)n2ncc(C(N)=O)c2n1.O=C(O)C1CCCCC1
InChIInChI=1S/C9H10N4O.C7H12O2/c1-5-3-6(2)13-9(12-5)7(4-11-13)8(10)14;8-7(9)6-4-2-1-3-5-6/h3-4H,1-2H3,(H2,10,14);6H,1-5H2,(H,8,9)
InChIKeyANESQFQJKLKXLV-UHFFFAOYSA-N
MW318.38 g/mol
LogP2.10
Rot. Bonds2

About cyclohexanecarboxylic acid;5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide

cyclohexanecarboxylic acid;5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 145182096) has the molecular formula C16H22N4O3 and a molecular weight of 318.38 g/mol. Its IUPAC name is cyclohexanecarboxylic acid;5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound Namecyclohexanecarboxylic acid;5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide
PubChem CID145182096
Molecular FormulaC16H22N4O3
Molecular Weight318.38 g/mol
Exact Mass318.17
IUPAC Namecyclohexanecarboxylic acid;5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCc1cc(C)n2ncc(C(N)=O)c2n1.O=C(O)C1CCCCC1
InChIInChI=1S/C9H10N4O.C7H12O2/c1-5-3-6(2)13-9(12-5)7(4-11-13)8(10)14;8-7(9)6-4-2-1-3-5-6/h3-4H,1-2H3,(H2,10,14);6H,1-5H2,(H,8,9)
InChIKeyANESQFQJKLKXLV-UHFFFAOYSA-N
XLogP2.10
TPSA110.58 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.38
LogP ≤ 52.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(1R,2R)-2-aminocyclohexyl]-5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 93451747
2-[cyclopropyl-(5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carbonyl)amino]acetic acid
CID 60826894
N-(2-amino-2-oxoethoxy)-5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 112550550
3-carbamoyl-5-methylpyrazolo[1,5-a]pyrimidine-7-carboxylic acid;N-(2-chloro-4-fluorophenyl)cyclohexanecarboxamide
CID 145182203
1-(5,7-dimethylpyrazolo[1,5-a]pyrimidin-3-yl)ethanone;pentan-1-ol;propylcyclohexane
CID 142613049
4-cyclohexyl-1-(5,7-dimethylpyrazolo[1,5-a]pyrimidin-3-yl)butan-1-one;pentan-1-ol
CID 142613045
(3,5-dimethylpiperidin-1-yl)-(5,7-dimethylpyrazolo[1,5-a]pyrimidin-3-yl)methanone
CID 42952771
2-[(5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carbonyl)amino]oxyacetic acid
CID 63913826
N-benzyl-N-cyclopropyl-5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 31844923
5,7-dimethyl-N-(2-pyrrolidin-1-ylphenyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 39112162
2-azaspiro[3.4]octan-2-yl-(5,7-dimethylpyrazolo[1,5-a]pyrimidin-3-yl)methanone
CID 139010063
1-[(5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carbonyl)amino]cyclopropane-1-carboxylic acid
CID 65453460

Frequently Asked Questions

What is the IUPAC name of cyclohexanecarboxylic acid;5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide?
The IUPAC name of cyclohexanecarboxylic acid;5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 145182096) is cyclohexanecarboxylic acid;5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide.
What is the SMILES notation for cyclohexanecarboxylic acid;5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide?
The canonical SMILES for cyclohexanecarboxylic acid;5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide is Cc1cc(C)n2ncc(C(N)=O)c2n1.O=C(O)C1CCCCC1.
What is the InChIKey of cyclohexanecarboxylic acid;5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide?
The InChIKey is ANESQFQJKLKXLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N4O.C7H12O2/c1-5-3-6(2)13-9(12-5)7(4-11-13)8(10)14;8-7(9)6-4-2-1-3-5-6/h3-4H,1-2H3,(H2,10,14);6H,1-5H2,(H,8,9).
What are the key properties of cyclohexanecarboxylic acid;5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide?
cyclohexanecarboxylic acid;5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 318.38 g/mol, XLogP of 2.10, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexanecarboxylic acid;5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 145182096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).