1-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-N-(3-fluorophenyl)piperidine-4-carboxamide

C19H25FN4O — CID 75471909

IUPAC1-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-N-(3-fluorophenyl)piperidine-4-carboxamide
SMILESCCc1nn(C)cc1CN1CCC(C(=O)Nc2cccc(F)c2)CC1
InChIInChI=1S/C19H25FN4O/c1-3-18-15(12-23(2)22-18)13-24-9-7-14(8-10-24)19(25)21-17-6-4-5-16(20)11-17/h4-6,11-12,14H,3,7-10,13H2,1-2H3,(H,21,25)
InChIKeyJSZBRSKIJYHMMQ-UHFFFAOYSA-N
MW344.43 g/mol
LogP2.97
Rot. Bonds5

About 1-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-N-(3-fluorophenyl)piperidine-4-carboxamide

1-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-N-(3-fluorophenyl)piperidine-4-carboxamide (PubChem CID 75471909) has the molecular formula C19H25FN4O and a molecular weight of 344.43 g/mol. Its IUPAC name is 1-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-N-(3-fluorophenyl)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-N-(3-fluorophenyl)piperidine-4-carboxamide
PubChem CID75471909
Molecular FormulaC19H25FN4O
Molecular Weight344.43 g/mol
Exact Mass344.20
IUPAC Name1-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-N-(3-fluorophenyl)piperidine-4-carboxamide
SMILESCCc1nn(C)cc1CN1CCC(C(=O)Nc2cccc(F)c2)CC1
InChIInChI=1S/C19H25FN4O/c1-3-18-15(12-23(2)22-18)13-24-9-7-14(8-10-24)19(25)21-17-6-4-5-16(20)11-17/h4-6,11-12,14H,3,7-10,13H2,1-2H3,(H,21,25)
InChIKeyJSZBRSKIJYHMMQ-UHFFFAOYSA-N
XLogP2.97
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.43
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(3-ethyl-1-methylpyrazol-4-yl)methylamino]-N-(3-fluorophenyl)acetamide
CID 115885607
1-[(4-chlorophenyl)methyl]-N-(3-fluorophenyl)piperidine-4-carboxamide
CID 45019171
1-(2-cyclohexylethyl)-N-(3-fluorophenyl)piperidine-4-carboxamide
CID 71869057
1-[1-[(3-ethyl-1-methylpyrazol-4-yl)methyl]pyrrolidin-3-yl]-3-(4-fluorophenyl)urea
CID 75515961
1-(2-amino-2-methylpropyl)-N-(3-fluorophenyl)piperidine-4-carboxamide;hydrochloride
CID 120848161
1-[2-(3-fluoroanilino)-2-oxoethyl]-N-phenylpiperidine-4-carboxamide
CID 9134379
N-[3-(3-fluorophenyl)phenyl]-1-(quinolin-8-ylmethyl)piperidine-4-carboxamide
CID 25455158
1-[2-(3,4-dichloroanilino)-2-oxoethyl]-N-(3-fluorophenyl)piperidine-4-carboxamide
CID 16909954
1-(4-ethylnaphthalene-1-carbonyl)-N-(3-fluorophenyl)piperidine-4-carboxamide
CID 162196893
1-(cyclopropanecarbonyl)-N-(3-fluorophenyl)piperidine-4-carboxamide
CID 26086523
1-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)-N-(3-fluorophenyl)piperidine-4-carboxamide
CID 46381335
1-N-(4-acetamidophenyl)-4-N-(3-fluorophenyl)cyclohexane-1,4-dicarboxamide
CID 109151103

Frequently Asked Questions

What is the IUPAC name of 1-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-N-(3-fluorophenyl)piperidine-4-carboxamide?
The IUPAC name of 1-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-N-(3-fluorophenyl)piperidine-4-carboxamide (CID 75471909) is 1-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-N-(3-fluorophenyl)piperidine-4-carboxamide.
What is the SMILES notation for 1-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-N-(3-fluorophenyl)piperidine-4-carboxamide?
The canonical SMILES for 1-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-N-(3-fluorophenyl)piperidine-4-carboxamide is CCc1nn(C)cc1CN1CCC(C(=O)Nc2cccc(F)c2)CC1.
What is the InChIKey of 1-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-N-(3-fluorophenyl)piperidine-4-carboxamide?
The InChIKey is JSZBRSKIJYHMMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25FN4O/c1-3-18-15(12-23(2)22-18)13-24-9-7-14(8-10-24)19(25)21-17-6-4-5-16(20)11-17/h4-6,11-12,14H,3,7-10,13H2,1-2H3,(H,21,25).
What are the key properties of 1-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-N-(3-fluorophenyl)piperidine-4-carboxamide?
1-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-N-(3-fluorophenyl)piperidine-4-carboxamide has a molecular weight of 344.43 g/mol, XLogP of 2.97, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-N-(3-fluorophenyl)piperidine-4-carboxamide is sourced from PubChem (CID 75471909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).