4-[(3,5-dimethylpyrazol-1-yl)methyl]-N-[(4-fluorophenyl)methyl]piperidine-1-carboxamide

C19H25FN4O — CID 71781241

IUPAC4-[(3,5-dimethylpyrazol-1-yl)methyl]-N-[(4-fluorophenyl)methyl]piperidine-1-carboxamide
SMILESCc1cc(C)n(CC2CCN(C(=O)NCc3ccc(F)cc3)CC2)n1
InChIInChI=1S/C19H25FN4O/c1-14-11-15(2)24(22-14)13-17-7-9-23(10-8-17)19(25)21-12-16-3-5-18(20)6-4-16/h3-6,11,17H,7-10,12-13H2,1-2H3,(H,21,25)
InChIKeyAEWYEVJJRZCSQJ-UHFFFAOYSA-N
MW344.43 g/mol
LogP3.26
Rot. Bonds4

About 4-[(3,5-dimethylpyrazol-1-yl)methyl]-N-[(4-fluorophenyl)methyl]piperidine-1-carboxamide

4-[(3,5-dimethylpyrazol-1-yl)methyl]-N-[(4-fluorophenyl)methyl]piperidine-1-carboxamide (PubChem CID 71781241) has the molecular formula C19H25FN4O and a molecular weight of 344.43 g/mol. Its IUPAC name is 4-[(3,5-dimethylpyrazol-1-yl)methyl]-N-[(4-fluorophenyl)methyl]piperidine-1-carboxamide.

Molecular Properties

Compound Name4-[(3,5-dimethylpyrazol-1-yl)methyl]-N-[(4-fluorophenyl)methyl]piperidine-1-carboxamide
PubChem CID71781241
Molecular FormulaC19H25FN4O
Molecular Weight344.43 g/mol
Exact Mass344.20
IUPAC Name4-[(3,5-dimethylpyrazol-1-yl)methyl]-N-[(4-fluorophenyl)methyl]piperidine-1-carboxamide
SMILESCc1cc(C)n(CC2CCN(C(=O)NCc3ccc(F)cc3)CC2)n1
InChIInChI=1S/C19H25FN4O/c1-14-11-15(2)24(22-14)13-17-7-9-23(10-8-17)19(25)21-12-16-3-5-18(20)6-4-16/h3-6,11,17H,7-10,12-13H2,1-2H3,(H,21,25)
InChIKeyAEWYEVJJRZCSQJ-UHFFFAOYSA-N
XLogP3.26
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.43
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(2-fluorophenyl)-N-[(1,3,5-trimethyl-1H-pyrazol-4-yl)methyl]acrylamide
CID 1224573
1-(2,4-difluorophenyl)-3-[(2R)-1-[3,5-di(propan-2-yl)pyrazol-1-yl]-3-methylbutan-2-yl]urea
CID 44589665
1-(2-Benzyl-5-methylpyrazol-3-yl)-3-(3,4-difluorophenyl)urea
CID 48750778
N-[2-(3-phenylpyrazol-1-yl)propyl]piperidine-1-carboxamide
CID 118514522
N-[1-(3-phenylpyrazol-1-yl)propan-2-yl]piperidine-1-carboxamide
CID 118514528
N-[2-(3-phenylpyrazol-1-yl)ethyl]piperidine-1-carboxamide
CID 118524339
N-[2-(3-phenylpyrazol-1-yl)ethyl]pyrrolidine-1-carboxamide
CID 123583803
N-(2-fluorobenzyl)-3-{1-[(1-isopropyl-3,5-dimethyl-1H-pyrazol-4-yl)methyl]piperidin-3-yl}propanamide
CID 16190843
N-(2-fluorobenzyl)-3-{1-[3-(5-methyl-1H-pyrazol-1-yl)propanoyl]-3-piperidinyl}propanamide
CID 16190899
1-[(1-ethyl-3,5-dimethyl-pyrazol-4-yl)methyl]-N-[3-(3-fluorophenyl)phenyl]isonipecotamide
CID 24816657
1-[(1S,4S)-4-[3,5-dimethyl-1-[4-(trifluoromethyl)phenyl]pyrazol-4-yl]cyclopent-2-en-1-yl]-3-propan-2-ylurea
CID 40777669
1-(1-Benzyl-3-cyclopropylpyrazol-5-yl)-3-(3-fluorophenyl)urea
CID 71812970

Frequently Asked Questions

What is the IUPAC name of 4-[(3,5-dimethylpyrazol-1-yl)methyl]-N-[(4-fluorophenyl)methyl]piperidine-1-carboxamide?
The IUPAC name of 4-[(3,5-dimethylpyrazol-1-yl)methyl]-N-[(4-fluorophenyl)methyl]piperidine-1-carboxamide (CID 71781241) is 4-[(3,5-dimethylpyrazol-1-yl)methyl]-N-[(4-fluorophenyl)methyl]piperidine-1-carboxamide.
What is the SMILES notation for 4-[(3,5-dimethylpyrazol-1-yl)methyl]-N-[(4-fluorophenyl)methyl]piperidine-1-carboxamide?
The canonical SMILES for 4-[(3,5-dimethylpyrazol-1-yl)methyl]-N-[(4-fluorophenyl)methyl]piperidine-1-carboxamide is Cc1cc(C)n(CC2CCN(C(=O)NCc3ccc(F)cc3)CC2)n1.
What is the InChIKey of 4-[(3,5-dimethylpyrazol-1-yl)methyl]-N-[(4-fluorophenyl)methyl]piperidine-1-carboxamide?
The InChIKey is AEWYEVJJRZCSQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25FN4O/c1-14-11-15(2)24(22-14)13-17-7-9-23(10-8-17)19(25)21-12-16-3-5-18(20)6-4-16/h3-6,11,17H,7-10,12-13H2,1-2H3,(H,21,25).
What are the key properties of 4-[(3,5-dimethylpyrazol-1-yl)methyl]-N-[(4-fluorophenyl)methyl]piperidine-1-carboxamide?
4-[(3,5-dimethylpyrazol-1-yl)methyl]-N-[(4-fluorophenyl)methyl]piperidine-1-carboxamide has a molecular weight of 344.43 g/mol, XLogP of 3.26, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3,5-dimethylpyrazol-1-yl)methyl]-N-[(4-fluorophenyl)methyl]piperidine-1-carboxamide is sourced from PubChem (CID 71781241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).