4-acetamido-N-(4-fluorocyclohexyl)-5-methyl-1H-pyrazole-3-carboxamide

C13H19FN4O2 — CID 70809846

IUPAC4-acetamido-N-(4-fluorocyclohexyl)-5-methyl-1H-pyrazole-3-carboxamide
SMILESCC(=O)Nc1c(C(=O)NC2CCC(F)CC2)n[nH]c1C
InChIInChI=1S/C13H19FN4O2/c1-7-11(15-8(2)19)12(18-17-7)13(20)16-10-5-3-9(14)4-6-10/h9-10H,3-6H2,1-2H3,(H,15,19)(H,16,20)(H,17,18)
InChIKeyKDTSSWQUWBZACC-UHFFFAOYSA-N
MW282.32 g/mol
LogP1.69
Rot. Bonds3

About 4-acetamido-N-(4-fluorocyclohexyl)-5-methyl-1H-pyrazole-3-carboxamide

4-acetamido-N-(4-fluorocyclohexyl)-5-methyl-1H-pyrazole-3-carboxamide (PubChem CID 70809846) has the molecular formula C13H19FN4O2 and a molecular weight of 282.32 g/mol. Its IUPAC name is 4-acetamido-N-(4-fluorocyclohexyl)-5-methyl-1H-pyrazole-3-carboxamide.

Molecular Properties

Compound Name4-acetamido-N-(4-fluorocyclohexyl)-5-methyl-1H-pyrazole-3-carboxamide
PubChem CID70809846
Molecular FormulaC13H19FN4O2
Molecular Weight282.32 g/mol
Exact Mass282.15
IUPAC Name4-acetamido-N-(4-fluorocyclohexyl)-5-methyl-1H-pyrazole-3-carboxamide
SMILESCC(=O)Nc1c(C(=O)NC2CCC(F)CC2)n[nH]c1C
InChIInChI=1S/C13H19FN4O2/c1-7-11(15-8(2)19)12(18-17-7)13(20)16-10-5-3-9(14)4-6-10/h9-10H,3-6H2,1-2H3,(H,15,19)(H,16,20)(H,17,18)
InChIKeyKDTSSWQUWBZACC-UHFFFAOYSA-N
XLogP1.69
TPSA86.88 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.32
LogP ≤ 51.69
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-acetamido-N-(4-fluorocyclohexyl)-5-methyl-1H-pyrazole-3-carboxamide?
The IUPAC name of 4-acetamido-N-(4-fluorocyclohexyl)-5-methyl-1H-pyrazole-3-carboxamide (CID 70809846) is 4-acetamido-N-(4-fluorocyclohexyl)-5-methyl-1H-pyrazole-3-carboxamide.
What is the SMILES notation for 4-acetamido-N-(4-fluorocyclohexyl)-5-methyl-1H-pyrazole-3-carboxamide?
The canonical SMILES for 4-acetamido-N-(4-fluorocyclohexyl)-5-methyl-1H-pyrazole-3-carboxamide is CC(=O)Nc1c(C(=O)NC2CCC(F)CC2)n[nH]c1C.
What is the InChIKey of 4-acetamido-N-(4-fluorocyclohexyl)-5-methyl-1H-pyrazole-3-carboxamide?
The InChIKey is KDTSSWQUWBZACC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19FN4O2/c1-7-11(15-8(2)19)12(18-17-7)13(20)16-10-5-3-9(14)4-6-10/h9-10H,3-6H2,1-2H3,(H,15,19)(H,16,20)(H,17,18).
What are the key properties of 4-acetamido-N-(4-fluorocyclohexyl)-5-methyl-1H-pyrazole-3-carboxamide?
4-acetamido-N-(4-fluorocyclohexyl)-5-methyl-1H-pyrazole-3-carboxamide has a molecular weight of 282.32 g/mol, XLogP of 1.69, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-acetamido-N-(4-fluorocyclohexyl)-5-methyl-1H-pyrazole-3-carboxamide is sourced from PubChem (CID 70809846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).