4-(aminomethyl)-N-[2-(1-ethylpiperidin-4-yl)pyrazol-3-yl]benzamide

C18H25N5O — CID 119836594

IUPAC4-(aminomethyl)-N-[2-(1-ethylpiperidin-4-yl)pyrazol-3-yl]benzamide
SMILESCCN1CCC(n2nccc2NC(=O)c2ccc(CN)cc2)CC1
InChIInChI=1S/C18H25N5O/c1-2-22-11-8-16(9-12-22)23-17(7-10-20-23)21-18(24)15-5-3-14(13-19)4-6-15/h3-7,10,16H,2,8-9,11-13,19H2,1H3,(H,21,24)
InChIKeyJOMAHUMBLSCIIZ-UHFFFAOYSA-N
MW327.43 g/mol
LogP2.25
Rot. Bonds5

About 4-(aminomethyl)-N-[2-(1-ethylpiperidin-4-yl)pyrazol-3-yl]benzamide

4-(aminomethyl)-N-[2-(1-ethylpiperidin-4-yl)pyrazol-3-yl]benzamide (PubChem CID 119836594) has the molecular formula C18H25N5O and a molecular weight of 327.43 g/mol. Its IUPAC name is 4-(aminomethyl)-N-[2-(1-ethylpiperidin-4-yl)pyrazol-3-yl]benzamide.

Molecular Properties

Compound Name4-(aminomethyl)-N-[2-(1-ethylpiperidin-4-yl)pyrazol-3-yl]benzamide
PubChem CID119836594
Molecular FormulaC18H25N5O
Molecular Weight327.43 g/mol
Exact Mass327.21
IUPAC Name4-(aminomethyl)-N-[2-(1-ethylpiperidin-4-yl)pyrazol-3-yl]benzamide
SMILESCCN1CCC(n2nccc2NC(=O)c2ccc(CN)cc2)CC1
InChIInChI=1S/C18H25N5O/c1-2-22-11-8-16(9-12-22)23-17(7-10-20-23)21-18(24)15-5-3-14(13-19)4-6-15/h3-7,10,16H,2,8-9,11-13,19H2,1H3,(H,21,24)
InChIKeyJOMAHUMBLSCIIZ-UHFFFAOYSA-N
XLogP2.25
TPSA76.18 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.43
LogP ≤ 52.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-chloro-N-[2-(1-ethylpiperidin-4-yl)pyrazol-3-yl]benzamide
CID 24793136
N-[2-(1-ethylpiperidin-4-yl)pyrazol-3-yl]-4-[3-(trifluoromethyl)pyrazol-1-yl]benzamide
CID 86883850
5-amino-N-[2-(1-ethylpiperidin-4-yl)pyrazol-3-yl]-2-methylbenzamide
CID 120640533
5-amino-N-[2-(1-ethylpiperidin-4-yl)pyrazol-3-yl]-2-methylbenzamide;dihydrochloride
CID 120640532
N-[2-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]pyrazol-3-yl]benzamide
CID 42211407
N-[2-[1-[(4-ethylphenyl)methyl]piperidin-4-yl]pyrazol-3-yl]-3-fluorobenzamide
CID 24791290
N-[2-(1-ethylpiperidin-4-yl)pyrazol-3-yl]-1-benzofuran-3-carboxamide
CID 126775005
N-[2-(1-ethylsulfonylpiperidin-4-yl)pyrazol-3-yl]-4-methoxybenzamide
CID 29215915
4-methoxy-N-[2-[1-[(E)-2-methylbut-2-enyl]piperidin-4-yl]pyrazol-3-yl]benzamide
CID 24817414
N-[2-(1-ethylpiperidin-4-yl)pyrazol-3-yl]-4-(2-methoxyethylamino)-3-nitrobenzamide
CID 86916462
3-fluoro-N-[2-[1-[[4-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]pyrazol-3-yl]benzamide
CID 25291943
N-[2-(1-ethylpiperidin-4-yl)pyrazol-3-yl]-3-(2-fluorophenyl)-1,2-oxazole-5-carboxamide
CID 46970730

Frequently Asked Questions

What is the IUPAC name of 4-(aminomethyl)-N-[2-(1-ethylpiperidin-4-yl)pyrazol-3-yl]benzamide?
The IUPAC name of 4-(aminomethyl)-N-[2-(1-ethylpiperidin-4-yl)pyrazol-3-yl]benzamide (CID 119836594) is 4-(aminomethyl)-N-[2-(1-ethylpiperidin-4-yl)pyrazol-3-yl]benzamide.
What is the SMILES notation for 4-(aminomethyl)-N-[2-(1-ethylpiperidin-4-yl)pyrazol-3-yl]benzamide?
The canonical SMILES for 4-(aminomethyl)-N-[2-(1-ethylpiperidin-4-yl)pyrazol-3-yl]benzamide is CCN1CCC(n2nccc2NC(=O)c2ccc(CN)cc2)CC1.
What is the InChIKey of 4-(aminomethyl)-N-[2-(1-ethylpiperidin-4-yl)pyrazol-3-yl]benzamide?
The InChIKey is JOMAHUMBLSCIIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N5O/c1-2-22-11-8-16(9-12-22)23-17(7-10-20-23)21-18(24)15-5-3-14(13-19)4-6-15/h3-7,10,16H,2,8-9,11-13,19H2,1H3,(H,21,24).
What are the key properties of 4-(aminomethyl)-N-[2-(1-ethylpiperidin-4-yl)pyrazol-3-yl]benzamide?
4-(aminomethyl)-N-[2-(1-ethylpiperidin-4-yl)pyrazol-3-yl]benzamide has a molecular weight of 327.43 g/mol, XLogP of 2.25, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(aminomethyl)-N-[2-(1-ethylpiperidin-4-yl)pyrazol-3-yl]benzamide is sourced from PubChem (CID 119836594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).