4-(cyclohexanecarbonylamino)-1-methylpyrazole-3-carboxamide

C12H18N4O2 — CID 139539267

IUPAC4-(cyclohexanecarbonylamino)-1-methylpyrazole-3-carboxamide
SMILESCn1cc(NC(=O)C2CCCCC2)c(C(N)=O)n1
InChIInChI=1S/C12H18N4O2/c1-16-7-9(10(15-16)11(13)17)14-12(18)8-5-3-2-4-6-8/h7-8H,2-6H2,1H3,(H2,13,17)(H,14,18)
InChIKeyPYAKKTYUIQERAL-UHFFFAOYSA-N
MW250.30 g/mol
LogP1.04
Rot. Bonds3

About 4-(cyclohexanecarbonylamino)-1-methylpyrazole-3-carboxamide

4-(cyclohexanecarbonylamino)-1-methylpyrazole-3-carboxamide (PubChem CID 139539267) has the molecular formula C12H18N4O2 and a molecular weight of 250.30 g/mol. Its IUPAC name is 4-(cyclohexanecarbonylamino)-1-methylpyrazole-3-carboxamide.

Molecular Properties

Compound Name4-(cyclohexanecarbonylamino)-1-methylpyrazole-3-carboxamide
PubChem CID139539267
Molecular FormulaC12H18N4O2
Molecular Weight250.30 g/mol
Exact Mass250.14
IUPAC Name4-(cyclohexanecarbonylamino)-1-methylpyrazole-3-carboxamide
SMILESCn1cc(NC(=O)C2CCCCC2)c(C(N)=O)n1
InChIInChI=1S/C12H18N4O2/c1-16-7-9(10(15-16)11(13)17)14-12(18)8-5-3-2-4-6-8/h7-8H,2-6H2,1H3,(H2,13,17)(H,14,18)
InChIKeyPYAKKTYUIQERAL-UHFFFAOYSA-N
XLogP1.04
TPSA90.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.30
LogP ≤ 51.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(cyclohexanecarbonylamino)-1-methylpyrazole-3-carboxamide?
The IUPAC name of 4-(cyclohexanecarbonylamino)-1-methylpyrazole-3-carboxamide (CID 139539267) is 4-(cyclohexanecarbonylamino)-1-methylpyrazole-3-carboxamide.
What is the SMILES notation for 4-(cyclohexanecarbonylamino)-1-methylpyrazole-3-carboxamide?
The canonical SMILES for 4-(cyclohexanecarbonylamino)-1-methylpyrazole-3-carboxamide is Cn1cc(NC(=O)C2CCCCC2)c(C(N)=O)n1.
What is the InChIKey of 4-(cyclohexanecarbonylamino)-1-methylpyrazole-3-carboxamide?
The InChIKey is PYAKKTYUIQERAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4O2/c1-16-7-9(10(15-16)11(13)17)14-12(18)8-5-3-2-4-6-8/h7-8H,2-6H2,1H3,(H2,13,17)(H,14,18).
What are the key properties of 4-(cyclohexanecarbonylamino)-1-methylpyrazole-3-carboxamide?
4-(cyclohexanecarbonylamino)-1-methylpyrazole-3-carboxamide has a molecular weight of 250.30 g/mol, XLogP of 1.04, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(cyclohexanecarbonylamino)-1-methylpyrazole-3-carboxamide is sourced from PubChem (CID 139539267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).