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

C16H24N4O2 — CID 69379388

IUPAC4-(cyclohexanecarbonylamino)-N-cyclopentyl-1H-pyrazole-5-carboxamide
SMILESO=C(NC1CCCC1)c1[nH]ncc1NC(=O)C1CCCCC1
InChIInChI=1S/C16H24N4O2/c21-15(11-6-2-1-3-7-11)19-13-10-17-20-14(13)16(22)18-12-8-4-5-9-12/h10-12H,1-9H2,(H,17,20)(H,18,22)(H,19,21)
InChIKeyBTCDAUCLKHXYDB-UHFFFAOYSA-N
MW304.39 g/mol
LogP2.60
Rot. Bonds4

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

4-(cyclohexanecarbonylamino)-N-cyclopentyl-1H-pyrazole-5-carboxamide (PubChem CID 69379388) has the molecular formula C16H24N4O2 and a molecular weight of 304.39 g/mol. Its IUPAC name is 4-(cyclohexanecarbonylamino)-N-cyclopentyl-1H-pyrazole-5-carboxamide.

Molecular Properties

Compound Name4-(cyclohexanecarbonylamino)-N-cyclopentyl-1H-pyrazole-5-carboxamide
PubChem CID69379388
Molecular FormulaC16H24N4O2
Molecular Weight304.39 g/mol
Exact Mass304.19
IUPAC Name4-(cyclohexanecarbonylamino)-N-cyclopentyl-1H-pyrazole-5-carboxamide
SMILESO=C(NC1CCCC1)c1[nH]ncc1NC(=O)C1CCCCC1
InChIInChI=1S/C16H24N4O2/c21-15(11-6-2-1-3-7-11)19-13-10-17-20-14(13)16(22)18-12-8-4-5-9-12/h10-12H,1-9H2,(H,17,20)(H,18,22)(H,19,21)
InChIKeyBTCDAUCLKHXYDB-UHFFFAOYSA-N
XLogP2.60
TPSA86.88 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.39
LogP ≤ 52.60
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(cyclohexanecarbonylamino)-N-cyclopentyl-1H-pyrazole-5-carboxamide?
The IUPAC name of 4-(cyclohexanecarbonylamino)-N-cyclopentyl-1H-pyrazole-5-carboxamide (CID 69379388) is 4-(cyclohexanecarbonylamino)-N-cyclopentyl-1H-pyrazole-5-carboxamide.
What is the SMILES notation for 4-(cyclohexanecarbonylamino)-N-cyclopentyl-1H-pyrazole-5-carboxamide?
The canonical SMILES for 4-(cyclohexanecarbonylamino)-N-cyclopentyl-1H-pyrazole-5-carboxamide is O=C(NC1CCCC1)c1[nH]ncc1NC(=O)C1CCCCC1.
What is the InChIKey of 4-(cyclohexanecarbonylamino)-N-cyclopentyl-1H-pyrazole-5-carboxamide?
The InChIKey is BTCDAUCLKHXYDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N4O2/c21-15(11-6-2-1-3-7-11)19-13-10-17-20-14(13)16(22)18-12-8-4-5-9-12/h10-12H,1-9H2,(H,17,20)(H,18,22)(H,19,21).
What are the key properties of 4-(cyclohexanecarbonylamino)-N-cyclopentyl-1H-pyrazole-5-carboxamide?
4-(cyclohexanecarbonylamino)-N-cyclopentyl-1H-pyrazole-5-carboxamide has a molecular weight of 304.39 g/mol, XLogP of 2.60, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(cyclohexanecarbonylamino)-N-cyclopentyl-1H-pyrazole-5-carboxamide is sourced from PubChem (CID 69379388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).