N-(2-ethylcyclohexyl)-5-fluoro-1,3-dimethylpyrazole-4-carboxamide

C14H22FN3O — CID 15376493

IUPACN-(2-ethylcyclohexyl)-5-fluoro-1,3-dimethylpyrazole-4-carboxamide
SMILESCCC1CCCCC1NC(=O)c1c(C)nn(C)c1F
InChIInChI=1S/C14H22FN3O/c1-4-10-7-5-6-8-11(10)16-14(19)12-9(2)17-18(3)13(12)15/h10-11H,4-8H2,1-3H3,(H,16,19)
InChIKeyPJEKWBIRAAALRF-UHFFFAOYSA-N
MW267.35 g/mol
LogP2.57
Rot. Bonds3

About N-(2-ethylcyclohexyl)-5-fluoro-1,3-dimethylpyrazole-4-carboxamide

N-(2-ethylcyclohexyl)-5-fluoro-1,3-dimethylpyrazole-4-carboxamide (PubChem CID 15376493) has the molecular formula C14H22FN3O and a molecular weight of 267.35 g/mol. Its IUPAC name is N-(2-ethylcyclohexyl)-5-fluoro-1,3-dimethylpyrazole-4-carboxamide.

Molecular Properties

Compound NameN-(2-ethylcyclohexyl)-5-fluoro-1,3-dimethylpyrazole-4-carboxamide
PubChem CID15376493
Molecular FormulaC14H22FN3O
Molecular Weight267.35 g/mol
Exact Mass267.17
IUPAC NameN-(2-ethylcyclohexyl)-5-fluoro-1,3-dimethylpyrazole-4-carboxamide
SMILESCCC1CCCCC1NC(=O)c1c(C)nn(C)c1F
InChIInChI=1S/C14H22FN3O/c1-4-10-7-5-6-8-11(10)16-14(19)12-9(2)17-18(3)13(12)15/h10-11H,4-8H2,1-3H3,(H,16,19)
InChIKeyPJEKWBIRAAALRF-UHFFFAOYSA-N
XLogP2.57
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.35
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(2-ethylcyclohexyl)-5-fluoro-1,3-dimethylpyrazole-4-carboxamide?
The IUPAC name of N-(2-ethylcyclohexyl)-5-fluoro-1,3-dimethylpyrazole-4-carboxamide (CID 15376493) is N-(2-ethylcyclohexyl)-5-fluoro-1,3-dimethylpyrazole-4-carboxamide.
What is the SMILES notation for N-(2-ethylcyclohexyl)-5-fluoro-1,3-dimethylpyrazole-4-carboxamide?
The canonical SMILES for N-(2-ethylcyclohexyl)-5-fluoro-1,3-dimethylpyrazole-4-carboxamide is CCC1CCCCC1NC(=O)c1c(C)nn(C)c1F.
What is the InChIKey of N-(2-ethylcyclohexyl)-5-fluoro-1,3-dimethylpyrazole-4-carboxamide?
The InChIKey is PJEKWBIRAAALRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22FN3O/c1-4-10-7-5-6-8-11(10)16-14(19)12-9(2)17-18(3)13(12)15/h10-11H,4-8H2,1-3H3,(H,16,19).
What are the key properties of N-(2-ethylcyclohexyl)-5-fluoro-1,3-dimethylpyrazole-4-carboxamide?
N-(2-ethylcyclohexyl)-5-fluoro-1,3-dimethylpyrazole-4-carboxamide has a molecular weight of 267.35 g/mol, XLogP of 2.57, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethylcyclohexyl)-5-fluoro-1,3-dimethylpyrazole-4-carboxamide is sourced from PubChem (CID 15376493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).