N-(1-ethylpiperidin-4-yl)-5-phenyl-1H-pyrazole-4-carboxamide

C17H22N4O — CID 146131304

IUPACN-(1-ethylpiperidin-4-yl)-5-phenyl-1H-pyrazole-4-carboxamide
SMILESCCN1CCC(NC(=O)c2cn[nH]c2-c2ccccc2)CC1
InChIInChI=1S/C17H22N4O/c1-2-21-10-8-14(9-11-21)19-17(22)15-12-18-20-16(15)13-6-4-3-5-7-13/h3-7,12,14H,2,8-11H2,1H3,(H,18,20)(H,19,22)
InChIKeyIIOSARHGJDVWOP-UHFFFAOYSA-N
MW298.39 g/mol
LogP2.29
Rot. Bonds4

About N-(1-ethylpiperidin-4-yl)-5-phenyl-1H-pyrazole-4-carboxamide

N-(1-ethylpiperidin-4-yl)-5-phenyl-1H-pyrazole-4-carboxamide (PubChem CID 146131304) has the molecular formula C17H22N4O and a molecular weight of 298.39 g/mol. Its IUPAC name is N-(1-ethylpiperidin-4-yl)-5-phenyl-1H-pyrazole-4-carboxamide.

Molecular Properties

Compound NameN-(1-ethylpiperidin-4-yl)-5-phenyl-1H-pyrazole-4-carboxamide
PubChem CID146131304
Molecular FormulaC17H22N4O
Molecular Weight298.39 g/mol
Exact Mass298.18
IUPAC NameN-(1-ethylpiperidin-4-yl)-5-phenyl-1H-pyrazole-4-carboxamide
SMILESCCN1CCC(NC(=O)c2cn[nH]c2-c2ccccc2)CC1
InChIInChI=1S/C17H22N4O/c1-2-21-10-8-14(9-11-21)19-17(22)15-12-18-20-16(15)13-6-4-3-5-7-13/h3-7,12,14H,2,8-11H2,1H3,(H,18,20)(H,19,22)
InChIKeyIIOSARHGJDVWOP-UHFFFAOYSA-N
XLogP2.29
TPSA61.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.39
LogP ≤ 52.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1-benzylpiperidin-4-yl)-5-(4-chlorophenyl)-1H-pyrazole-4-carboxamide
CID 46341484
N-(1,1-dioxothian-4-yl)-5-phenyl-1H-pyrazole-4-carboxamide
CID 60511818
N-(4-aminocyclohexyl)-5-phenyl-1H-pyrazole-4-carboxamide;hydrochloride
CID 119475103
N-[4-[(4-ethylpiperazin-1-yl)methyl]phenyl]-5-phenyl-1H-pyrazole-4-carboxamide
CID 55842498
5-(4-chlorophenyl)-N-[1-[(2-methoxyphenyl)methyl]piperidin-4-yl]-1H-pyrazole-4-carboxamide
CID 55951354
ethyl 4-[[5-(4-chlorophenyl)-1H-pyrazole-4-carbonyl]amino]piperidine-1-carboxylate
CID 17409577
N-(1-benzylpyrrolidin-3-yl)-5-thiophen-3-yl-1H-pyrazole-4-carboxamide
CID 139011250
N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-5-phenyl-1H-pyrazole-4-carboxamide
CID 71879874
5-(3-methylphenyl)-N-[1-[[(2S)-oxolan-2-yl]methyl]piperidin-4-yl]-1H-pyrazole-4-carboxamide
CID 124855451
5-(4-fluorophenyl)-N-(4-methylcyclohexyl)-1H-pyrazole-4-carboxamide
CID 24595329
N-[1-(2-amino-2-oxoethyl)piperidin-4-yl]-5-methyl-1H-pyrazole-4-carboxamide
CID 63999078
N-cyclohexyl-4-(4-ethylpiperazin-1-yl)-2-phenylpyrimidine-5-carboxamide
CID 46111456

Frequently Asked Questions

What is the IUPAC name of N-(1-ethylpiperidin-4-yl)-5-phenyl-1H-pyrazole-4-carboxamide?
The IUPAC name of N-(1-ethylpiperidin-4-yl)-5-phenyl-1H-pyrazole-4-carboxamide (CID 146131304) is N-(1-ethylpiperidin-4-yl)-5-phenyl-1H-pyrazole-4-carboxamide.
What is the SMILES notation for N-(1-ethylpiperidin-4-yl)-5-phenyl-1H-pyrazole-4-carboxamide?
The canonical SMILES for N-(1-ethylpiperidin-4-yl)-5-phenyl-1H-pyrazole-4-carboxamide is CCN1CCC(NC(=O)c2cn[nH]c2-c2ccccc2)CC1.
What is the InChIKey of N-(1-ethylpiperidin-4-yl)-5-phenyl-1H-pyrazole-4-carboxamide?
The InChIKey is IIOSARHGJDVWOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4O/c1-2-21-10-8-14(9-11-21)19-17(22)15-12-18-20-16(15)13-6-4-3-5-7-13/h3-7,12,14H,2,8-11H2,1H3,(H,18,20)(H,19,22).
What are the key properties of N-(1-ethylpiperidin-4-yl)-5-phenyl-1H-pyrazole-4-carboxamide?
N-(1-ethylpiperidin-4-yl)-5-phenyl-1H-pyrazole-4-carboxamide has a molecular weight of 298.39 g/mol, XLogP of 2.29, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-ethylpiperidin-4-yl)-5-phenyl-1H-pyrazole-4-carboxamide is sourced from PubChem (CID 146131304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).