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

C17H19FN4O2 — CID 24971317

IUPAC4-(cyclohexanecarbonylamino)-N-(4-fluorophenyl)-1H-pyrazole-5-carboxamide
SMILESO=C(Nc1ccc(F)cc1)c1[nH]ncc1NC(=O)C1CCCCC1
InChIInChI=1S/C17H19FN4O2/c18-12-6-8-13(9-7-12)20-17(24)15-14(10-19-22-15)21-16(23)11-4-2-1-3-5-11/h6-11H,1-5H2,(H,19,22)(H,20,24)(H,21,23)
InChIKeyWYHMIZJZCQZTDC-UHFFFAOYSA-N
MW330.36 g/mol
LogP3.32
Rot. Bonds4

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

4-(cyclohexanecarbonylamino)-N-(4-fluorophenyl)-1H-pyrazole-5-carboxamide (PubChem CID 24971317) has the molecular formula C17H19FN4O2 and a molecular weight of 330.36 g/mol. Its IUPAC name is 4-(cyclohexanecarbonylamino)-N-(4-fluorophenyl)-1H-pyrazole-5-carboxamide.

Molecular Properties

Compound Name4-(cyclohexanecarbonylamino)-N-(4-fluorophenyl)-1H-pyrazole-5-carboxamide
PubChem CID24971317
Molecular FormulaC17H19FN4O2
Molecular Weight330.36 g/mol
Exact Mass330.15
IUPAC Name4-(cyclohexanecarbonylamino)-N-(4-fluorophenyl)-1H-pyrazole-5-carboxamide
SMILESO=C(Nc1ccc(F)cc1)c1[nH]ncc1NC(=O)C1CCCCC1
InChIInChI=1S/C17H19FN4O2/c18-12-6-8-13(9-7-12)20-17(24)15-14(10-19-22-15)21-16(23)11-4-2-1-3-5-11/h6-11H,1-5H2,(H,19,22)(H,20,24)(H,21,23)
InChIKeyWYHMIZJZCQZTDC-UHFFFAOYSA-N
XLogP3.32
TPSA86.88 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.36
LogP ≤ 53.32
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(cyclohexanecarbonylamino)-N-(4-fluorophenyl)-1H-pyrazole-5-carboxamide?
The IUPAC name of 4-(cyclohexanecarbonylamino)-N-(4-fluorophenyl)-1H-pyrazole-5-carboxamide (CID 24971317) is 4-(cyclohexanecarbonylamino)-N-(4-fluorophenyl)-1H-pyrazole-5-carboxamide.
What is the SMILES notation for 4-(cyclohexanecarbonylamino)-N-(4-fluorophenyl)-1H-pyrazole-5-carboxamide?
The canonical SMILES for 4-(cyclohexanecarbonylamino)-N-(4-fluorophenyl)-1H-pyrazole-5-carboxamide is O=C(Nc1ccc(F)cc1)c1[nH]ncc1NC(=O)C1CCCCC1.
What is the InChIKey of 4-(cyclohexanecarbonylamino)-N-(4-fluorophenyl)-1H-pyrazole-5-carboxamide?
The InChIKey is WYHMIZJZCQZTDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19FN4O2/c18-12-6-8-13(9-7-12)20-17(24)15-14(10-19-22-15)21-16(23)11-4-2-1-3-5-11/h6-11H,1-5H2,(H,19,22)(H,20,24)(H,21,23).
What are the key properties of 4-(cyclohexanecarbonylamino)-N-(4-fluorophenyl)-1H-pyrazole-5-carboxamide?
4-(cyclohexanecarbonylamino)-N-(4-fluorophenyl)-1H-pyrazole-5-carboxamide has a molecular weight of 330.36 g/mol, XLogP of 3.32, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(cyclohexanecarbonylamino)-N-(4-fluorophenyl)-1H-pyrazole-5-carboxamide is sourced from PubChem (CID 24971317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).