4-(cyclohexanecarbonylamino)-N-methyl-1H-pyrazole-5-carboxamide

C12H18N4O2 — CID 69378578

IUPAC4-(cyclohexanecarbonylamino)-N-methyl-1H-pyrazole-5-carboxamide
SMILESCNC(=O)c1[nH]ncc1NC(=O)C1CCCCC1
InChIInChI=1S/C12H18N4O2/c1-13-12(18)10-9(7-14-16-10)15-11(17)8-5-3-2-4-6-8/h7-8H,2-6H2,1H3,(H,13,18)(H,14,16)(H,15,17)
InChIKeyPQMZVBPALYIKCU-UHFFFAOYSA-N
MW250.30 g/mol
LogP1.29
Rot. Bonds3

About 4-(cyclohexanecarbonylamino)-N-methyl-1H-pyrazole-5-carboxamide

4-(cyclohexanecarbonylamino)-N-methyl-1H-pyrazole-5-carboxamide (PubChem CID 69378578) has the molecular formula C12H18N4O2 and a molecular weight of 250.30 g/mol. Its IUPAC name is 4-(cyclohexanecarbonylamino)-N-methyl-1H-pyrazole-5-carboxamide.

Molecular Properties

Compound Name4-(cyclohexanecarbonylamino)-N-methyl-1H-pyrazole-5-carboxamide
PubChem CID69378578
Molecular FormulaC12H18N4O2
Molecular Weight250.30 g/mol
Exact Mass250.14
IUPAC Name4-(cyclohexanecarbonylamino)-N-methyl-1H-pyrazole-5-carboxamide
SMILESCNC(=O)c1[nH]ncc1NC(=O)C1CCCCC1
InChIInChI=1S/C12H18N4O2/c1-13-12(18)10-9(7-14-16-10)15-11(17)8-5-3-2-4-6-8/h7-8H,2-6H2,1H3,(H,13,18)(H,14,16)(H,15,17)
InChIKeyPQMZVBPALYIKCU-UHFFFAOYSA-N
XLogP1.29
TPSA86.88 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.30
LogP ≤ 51.29
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

CID 118714250
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CID 142995075
CID 142995075
CID 142995110
CID 142995110
CID 143263562
CID 143263562
CID 143263689
CID 143263689
CID 143263713
CID 143263713
CID 143263765
CID 143263765
CID 75500616
CID 75500616
CID 132386529
CID 132386529

Frequently Asked Questions

What is the IUPAC name of 4-(cyclohexanecarbonylamino)-N-methyl-1H-pyrazole-5-carboxamide?
The IUPAC name of 4-(cyclohexanecarbonylamino)-N-methyl-1H-pyrazole-5-carboxamide (CID 69378578) is 4-(cyclohexanecarbonylamino)-N-methyl-1H-pyrazole-5-carboxamide.
What is the SMILES notation for 4-(cyclohexanecarbonylamino)-N-methyl-1H-pyrazole-5-carboxamide?
The canonical SMILES for 4-(cyclohexanecarbonylamino)-N-methyl-1H-pyrazole-5-carboxamide is CNC(=O)c1[nH]ncc1NC(=O)C1CCCCC1.
What is the InChIKey of 4-(cyclohexanecarbonylamino)-N-methyl-1H-pyrazole-5-carboxamide?
The InChIKey is PQMZVBPALYIKCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4O2/c1-13-12(18)10-9(7-14-16-10)15-11(17)8-5-3-2-4-6-8/h7-8H,2-6H2,1H3,(H,13,18)(H,14,16)(H,15,17).
What are the key properties of 4-(cyclohexanecarbonylamino)-N-methyl-1H-pyrazole-5-carboxamide?
4-(cyclohexanecarbonylamino)-N-methyl-1H-pyrazole-5-carboxamide has a molecular weight of 250.30 g/mol, XLogP of 1.29, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(cyclohexanecarbonylamino)-N-methyl-1H-pyrazole-5-carboxamide is sourced from PubChem (CID 69378578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).