3-[2-(1-aminoethyl)piperidine-1-carbonyl]-1-phenylpyrazole-5-carboxamide

C18H23N5O2 — CID 119436037

IUPAC3-[2-(1-aminoethyl)piperidine-1-carbonyl]-1-phenylpyrazole-5-carboxamide
SMILESCC(N)C1CCCCN1C(=O)c1cc(C(N)=O)n(-c2ccccc2)n1
InChIInChI=1S/C18H23N5O2/c1-12(19)15-9-5-6-10-22(15)18(25)14-11-16(17(20)24)23(21-14)13-7-3-2-4-8-13/h2-4,7-8,11-12,15H,5-6,9-10,19H2,1H3,(H2,20,24)
InChIKeyYQLJPWFBTGJPOK-UHFFFAOYSA-N
MW341.42 g/mol
LogP1.31
Rot. Bonds4

About 3-[2-(1-aminoethyl)piperidine-1-carbonyl]-1-phenylpyrazole-5-carboxamide

3-[2-(1-aminoethyl)piperidine-1-carbonyl]-1-phenylpyrazole-5-carboxamide (PubChem CID 119436037) has the molecular formula C18H23N5O2 and a molecular weight of 341.42 g/mol. Its IUPAC name is 3-[2-(1-aminoethyl)piperidine-1-carbonyl]-1-phenylpyrazole-5-carboxamide.

Molecular Properties

Compound Name3-[2-(1-aminoethyl)piperidine-1-carbonyl]-1-phenylpyrazole-5-carboxamide
PubChem CID119436037
Molecular FormulaC18H23N5O2
Molecular Weight341.42 g/mol
Exact Mass341.19
IUPAC Name3-[2-(1-aminoethyl)piperidine-1-carbonyl]-1-phenylpyrazole-5-carboxamide
SMILESCC(N)C1CCCCN1C(=O)c1cc(C(N)=O)n(-c2ccccc2)n1
InChIInChI=1S/C18H23N5O2/c1-12(19)15-9-5-6-10-22(15)18(25)14-11-16(17(20)24)23(21-14)13-7-3-2-4-8-13/h2-4,7-8,11-12,15H,5-6,9-10,19H2,1H3,(H2,20,24)
InChIKeyYQLJPWFBTGJPOK-UHFFFAOYSA-N
XLogP1.31
TPSA107.24 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.42
LogP ≤ 51.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

[2-(1-aminoethyl)piperidin-1-yl]-(3-methyl-1-phenylpyrazol-4-yl)methanone
CID 119436418
[(2S)-2-[(1S)-1-aminoethyl]piperidin-1-yl]-[1-(3-methylphenyl)triazol-4-yl]methanone
CID 124690820
[2-(1-aminoethyl)piperidin-1-yl]-[1-(3-bromophenyl)pyrazol-3-yl]methanone
CID 119437734
[(2R)-2-[(1S)-1-aminoethyl]piperidin-1-yl]-[1-(3-fluorophenyl)pyrazol-3-yl]methanone
CID 124569387
3-(3-aminopiperidine-1-carbonyl)-1-phenylpyrazole-5-carboxamide;hydrochloride
CID 119379377
1-[2-(1-aminoethyl)piperidin-1-yl]-2-(3,5-dimethyl-1-phenylpyrazol-4-yl)ethanone
CID 119437515
1-(5-carbamoyl-1-phenylpyrazole-3-carbonyl)-5-methylpiperidine-3-carboxylic acid
CID 122118366
[2-(1-aminoethyl)piperidin-1-yl]-[3-(tetrazol-1-yl)phenyl]methanone;hydrochloride
CID 119435840
[(2R)-2-[(1S)-1-aminoethyl]piperidin-1-yl]-(6-pyrrolidin-1-ylpyridazin-3-yl)methanone
CID 124569587
3-[4-(2,2-dimethylpropanoyl)piperazine-1-carbonyl]-1-phenylpyrazole-5-carboxamide
CID 119129360
[2-(1-aminoethyl)piperidin-1-yl]-(2-hydroxyphenyl)methanone
CID 63254989
[(2S)-2-[(1R)-1-aminoethyl]piperidin-1-yl]-(2-pyrimidin-2-yl-1,3-thiazol-4-yl)methanone
CID 124689404

Frequently Asked Questions

What is the IUPAC name of 3-[2-(1-aminoethyl)piperidine-1-carbonyl]-1-phenylpyrazole-5-carboxamide?
The IUPAC name of 3-[2-(1-aminoethyl)piperidine-1-carbonyl]-1-phenylpyrazole-5-carboxamide (CID 119436037) is 3-[2-(1-aminoethyl)piperidine-1-carbonyl]-1-phenylpyrazole-5-carboxamide.
What is the SMILES notation for 3-[2-(1-aminoethyl)piperidine-1-carbonyl]-1-phenylpyrazole-5-carboxamide?
The canonical SMILES for 3-[2-(1-aminoethyl)piperidine-1-carbonyl]-1-phenylpyrazole-5-carboxamide is CC(N)C1CCCCN1C(=O)c1cc(C(N)=O)n(-c2ccccc2)n1.
What is the InChIKey of 3-[2-(1-aminoethyl)piperidine-1-carbonyl]-1-phenylpyrazole-5-carboxamide?
The InChIKey is YQLJPWFBTGJPOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N5O2/c1-12(19)15-9-5-6-10-22(15)18(25)14-11-16(17(20)24)23(21-14)13-7-3-2-4-8-13/h2-4,7-8,11-12,15H,5-6,9-10,19H2,1H3,(H2,20,24).
What are the key properties of 3-[2-(1-aminoethyl)piperidine-1-carbonyl]-1-phenylpyrazole-5-carboxamide?
3-[2-(1-aminoethyl)piperidine-1-carbonyl]-1-phenylpyrazole-5-carboxamide has a molecular weight of 341.42 g/mol, XLogP of 1.31, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(1-aminoethyl)piperidine-1-carbonyl]-1-phenylpyrazole-5-carboxamide is sourced from PubChem (CID 119436037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).