N-(4-ethylphenyl)-4-pyrazol-1-ylpiperidine-4-carboxamide

C17H22N4O — CID 120917507

IUPACN-(4-ethylphenyl)-4-pyrazol-1-ylpiperidine-4-carboxamide
SMILESCCc1ccc(NC(=O)C2(n3cccn3)CCNCC2)cc1
InChIInChI=1S/C17H22N4O/c1-2-14-4-6-15(7-5-14)20-16(22)17(8-11-18-12-9-17)21-13-3-10-19-21/h3-7,10,13,18H,2,8-9,11-12H2,1H3,(H,20,22)
InChIKeyRUSOKNOBCQDFTB-UHFFFAOYSA-N
MW298.39 g/mol
LogP2.16
Rot. Bonds4

About N-(4-ethylphenyl)-4-pyrazol-1-ylpiperidine-4-carboxamide

N-(4-ethylphenyl)-4-pyrazol-1-ylpiperidine-4-carboxamide (PubChem CID 120917507) has the molecular formula C17H22N4O and a molecular weight of 298.39 g/mol. Its IUPAC name is N-(4-ethylphenyl)-4-pyrazol-1-ylpiperidine-4-carboxamide.

Molecular Properties

Compound NameN-(4-ethylphenyl)-4-pyrazol-1-ylpiperidine-4-carboxamide
PubChem CID120917507
Molecular FormulaC17H22N4O
Molecular Weight298.39 g/mol
Exact Mass298.18
IUPAC NameN-(4-ethylphenyl)-4-pyrazol-1-ylpiperidine-4-carboxamide
SMILESCCc1ccc(NC(=O)C2(n3cccn3)CCNCC2)cc1
InChIInChI=1S/C17H22N4O/c1-2-14-4-6-15(7-5-14)20-16(22)17(8-11-18-12-9-17)21-13-3-10-19-21/h3-7,10,13,18H,2,8-9,11-12H2,1H3,(H,20,22)
InChIKeyRUSOKNOBCQDFTB-UHFFFAOYSA-N
XLogP2.16
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.39
LogP ≤ 52.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-iodophenyl)-4-pyrazol-1-ylpiperidine-4-carboxamide
CID 120917303
N-(4-fluorophenyl)-4-pyrazol-1-ylpiperidine-4-carboxamide;hydrochloride
CID 120917012
N-(3,4-dimethylphenyl)-4-pyrazol-1-ylpiperidine-4-carboxamide
CID 120917006
N-[4-[[acetyl(propan-2-yl)amino]methyl]phenyl]-4-pyrazol-1-ylpiperidine-4-carboxamide
CID 120933669
N-[4-(propylsulfamoyl)phenyl]-4-pyrazol-1-ylpiperidine-4-carboxamide;hydrochloride
CID 120923921
N-[4-(1-amino-2-methyl-1-oxopropan-2-yl)phenyl]-4-pyrazol-1-ylpiperidine-4-carboxamide
CID 120934450
N-[1-(4-ethylphenyl)ethyl]-4-pyrazol-1-ylpiperidine-4-carboxamide;hydrochloride
CID 120918940
N-[3-(butanoylamino)phenyl]-4-pyrazol-1-ylpiperidine-4-carboxamide
CID 120924327
dimethyl 5-[(4-pyrazol-1-ylpiperidine-4-carbonyl)amino]benzene-1,3-dicarboxylate
CID 120917447
N-[4-[(2,5-dioxopyrrolidin-3-yl)methyl]phenyl]-4-pyrazol-1-ylpiperidine-4-carboxamide
CID 120934516
methyl 2-[[4-[(4-pyrazol-1-ylpiperidine-4-carbonyl)amino]benzoyl]amino]acetate
CID 120919843
N-[[4-(carbamoylamino)phenyl]methyl]-4-pyrazol-1-ylpiperidine-4-carboxamide
CID 120920936

Frequently Asked Questions

What is the IUPAC name of N-(4-ethylphenyl)-4-pyrazol-1-ylpiperidine-4-carboxamide?
The IUPAC name of N-(4-ethylphenyl)-4-pyrazol-1-ylpiperidine-4-carboxamide (CID 120917507) is N-(4-ethylphenyl)-4-pyrazol-1-ylpiperidine-4-carboxamide.
What is the SMILES notation for N-(4-ethylphenyl)-4-pyrazol-1-ylpiperidine-4-carboxamide?
The canonical SMILES for N-(4-ethylphenyl)-4-pyrazol-1-ylpiperidine-4-carboxamide is CCc1ccc(NC(=O)C2(n3cccn3)CCNCC2)cc1.
What is the InChIKey of N-(4-ethylphenyl)-4-pyrazol-1-ylpiperidine-4-carboxamide?
The InChIKey is RUSOKNOBCQDFTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4O/c1-2-14-4-6-15(7-5-14)20-16(22)17(8-11-18-12-9-17)21-13-3-10-19-21/h3-7,10,13,18H,2,8-9,11-12H2,1H3,(H,20,22).
What are the key properties of N-(4-ethylphenyl)-4-pyrazol-1-ylpiperidine-4-carboxamide?
N-(4-ethylphenyl)-4-pyrazol-1-ylpiperidine-4-carboxamide has a molecular weight of 298.39 g/mol, XLogP of 2.16, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-ethylphenyl)-4-pyrazol-1-ylpiperidine-4-carboxamide is sourced from PubChem (CID 120917507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).