4-(cyclohexanecarbonylamino)-N,1-dimethylpyrazole-3-carboxamide

C13H20N4O2 — CID 19410657

IUPAC4-(cyclohexanecarbonylamino)-N,1-dimethylpyrazole-3-carboxamide
SMILESCNC(=O)c1nn(C)cc1NC(=O)C1CCCCC1
InChIInChI=1S/C13H20N4O2/c1-14-13(19)11-10(8-17(2)16-11)15-12(18)9-6-4-3-5-7-9/h8-9H,3-7H2,1-2H3,(H,14,19)(H,15,18)
InChIKeyAPSWGHHNELENRL-UHFFFAOYSA-N
MW264.33 g/mol
LogP1.30
Rot. Bonds3

About 4-(cyclohexanecarbonylamino)-N,1-dimethylpyrazole-3-carboxamide

4-(cyclohexanecarbonylamino)-N,1-dimethylpyrazole-3-carboxamide (PubChem CID 19410657) has the molecular formula C13H20N4O2 and a molecular weight of 264.33 g/mol. Its IUPAC name is 4-(cyclohexanecarbonylamino)-N,1-dimethylpyrazole-3-carboxamide.

Molecular Properties

Compound Name4-(cyclohexanecarbonylamino)-N,1-dimethylpyrazole-3-carboxamide
PubChem CID19410657
Molecular FormulaC13H20N4O2
Molecular Weight264.33 g/mol
Exact Mass264.16
IUPAC Name4-(cyclohexanecarbonylamino)-N,1-dimethylpyrazole-3-carboxamide
SMILESCNC(=O)c1nn(C)cc1NC(=O)C1CCCCC1
InChIInChI=1S/C13H20N4O2/c1-14-13(19)11-10(8-17(2)16-11)15-12(18)9-6-4-3-5-7-9/h8-9H,3-7H2,1-2H3,(H,14,19)(H,15,18)
InChIKeyAPSWGHHNELENRL-UHFFFAOYSA-N
XLogP1.30
TPSA76.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.33
LogP ≤ 51.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(cyclohexanecarbonylamino)-N,1-dimethylpyrazole-3-carboxamide?
The IUPAC name of 4-(cyclohexanecarbonylamino)-N,1-dimethylpyrazole-3-carboxamide (CID 19410657) is 4-(cyclohexanecarbonylamino)-N,1-dimethylpyrazole-3-carboxamide.
What is the SMILES notation for 4-(cyclohexanecarbonylamino)-N,1-dimethylpyrazole-3-carboxamide?
The canonical SMILES for 4-(cyclohexanecarbonylamino)-N,1-dimethylpyrazole-3-carboxamide is CNC(=O)c1nn(C)cc1NC(=O)C1CCCCC1.
What is the InChIKey of 4-(cyclohexanecarbonylamino)-N,1-dimethylpyrazole-3-carboxamide?
The InChIKey is APSWGHHNELENRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4O2/c1-14-13(19)11-10(8-17(2)16-11)15-12(18)9-6-4-3-5-7-9/h8-9H,3-7H2,1-2H3,(H,14,19)(H,15,18).
What are the key properties of 4-(cyclohexanecarbonylamino)-N,1-dimethylpyrazole-3-carboxamide?
4-(cyclohexanecarbonylamino)-N,1-dimethylpyrazole-3-carboxamide has a molecular weight of 264.33 g/mol, XLogP of 1.30, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(cyclohexanecarbonylamino)-N,1-dimethylpyrazole-3-carboxamide is sourced from PubChem (CID 19410657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).