1-ethenyl-N-methyl-N-[2-[(2S)-2-methylpiperidin-1-yl]ethyl]pyrazole-4-carboxamide

C15H24N4O — CID 95402859

IUPAC1-ethenyl-N-methyl-N-[2-[(2S)-2-methylpiperidin-1-yl]ethyl]pyrazole-4-carboxamide
SMILESC=Cn1cc(C(=O)N(C)CCN2CCCC[C@@H]2C)cn1
InChIInChI=1S/C15H24N4O/c1-4-19-12-14(11-16-19)15(20)17(3)9-10-18-8-6-5-7-13(18)2/h4,11-13H,1,5-10H2,2-3H3/t13-/m0/s1
InChIKeyDBEMXDYGWKPWRV-ZDUSSCGKSA-N
MW276.38 g/mol
LogP1.93
Rot. Bonds5

About 1-ethenyl-N-methyl-N-[2-[(2S)-2-methylpiperidin-1-yl]ethyl]pyrazole-4-carboxamide

1-ethenyl-N-methyl-N-[2-[(2S)-2-methylpiperidin-1-yl]ethyl]pyrazole-4-carboxamide (PubChem CID 95402859) has the molecular formula C15H24N4O and a molecular weight of 276.38 g/mol. Its IUPAC name is 1-ethenyl-N-methyl-N-[2-[(2S)-2-methylpiperidin-1-yl]ethyl]pyrazole-4-carboxamide.

Molecular Properties

Compound Name1-ethenyl-N-methyl-N-[2-[(2S)-2-methylpiperidin-1-yl]ethyl]pyrazole-4-carboxamide
PubChem CID95402859
Molecular FormulaC15H24N4O
Molecular Weight276.38 g/mol
Exact Mass276.20
IUPAC Name1-ethenyl-N-methyl-N-[2-[(2S)-2-methylpiperidin-1-yl]ethyl]pyrazole-4-carboxamide
SMILESC=Cn1cc(C(=O)N(C)CCN2CCCC[C@@H]2C)cn1
InChIInChI=1S/C15H24N4O/c1-4-19-12-14(11-16-19)15(20)17(3)9-10-18-8-6-5-7-13(18)2/h4,11-13H,1,5-10H2,2-3H3/t13-/m0/s1
InChIKeyDBEMXDYGWKPWRV-ZDUSSCGKSA-N
XLogP1.93
TPSA41.37 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 51.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-methyl-N-[[4-[(2-methylpiperidin-1-yl)methyl]phenyl]methyl]pyrazole-4-carboxamide
CID 86990673
N-methyl-2-(2-methylpiperidin-1-yl)-N-[(3-methyl-1-prop-2-enylpyrazol-4-yl)methyl]ethanamine
CID 46984007
1-(1-ethylpyrazol-4-yl)-3-[2-[(2R)-2-methylpiperidin-1-yl]ethyl]urea
CID 94145583
N-[(5,6-dimethyl-1H-benzimidazol-2-yl)methyl]-1-ethenyl-N-methylpyrazole-4-carboxamide
CID 56866793
3-[methyl-(1-methylpyrazole-4-carbonyl)amino]propanoic acid
CID 60989525
N-amino-N-[2-(2-methylpiperidin-1-yl)ethyl]formamide
CID 174509096
N-methyl-2-[(2S)-2-methylpiperidin-1-yl]-N-[(3-methyl-4-pyridinyl)methyl]ethanamine
CID 124753653
4-[2-(2-methylpyrrolidin-1-yl)ethyl]benzoic acid
CID 79680062
4-[[2-(2-methylpiperidin-1-yl)ethylamino]methyl]benzoic acid
CID 122030315
2-amino-N-[3-(2-methylpiperidin-1-yl)propyl]-2-(1-methylpyrazol-4-yl)acetamide
CID 115289585
N-methyl-N-[2-(2-methylpiperidin-1-yl)ethyl]thian-4-amine
CID 50983919
N-methyl-N-[2-[(2R)-2-methylpiperidin-1-yl]ethyl]thian-4-amine
CID 95147822

Frequently Asked Questions

What is the IUPAC name of 1-ethenyl-N-methyl-N-[2-[(2S)-2-methylpiperidin-1-yl]ethyl]pyrazole-4-carboxamide?
The IUPAC name of 1-ethenyl-N-methyl-N-[2-[(2S)-2-methylpiperidin-1-yl]ethyl]pyrazole-4-carboxamide (CID 95402859) is 1-ethenyl-N-methyl-N-[2-[(2S)-2-methylpiperidin-1-yl]ethyl]pyrazole-4-carboxamide.
What is the SMILES notation for 1-ethenyl-N-methyl-N-[2-[(2S)-2-methylpiperidin-1-yl]ethyl]pyrazole-4-carboxamide?
The canonical SMILES for 1-ethenyl-N-methyl-N-[2-[(2S)-2-methylpiperidin-1-yl]ethyl]pyrazole-4-carboxamide is C=Cn1cc(C(=O)N(C)CCN2CCCC[C@@H]2C)cn1.
What is the InChIKey of 1-ethenyl-N-methyl-N-[2-[(2S)-2-methylpiperidin-1-yl]ethyl]pyrazole-4-carboxamide?
The InChIKey is DBEMXDYGWKPWRV-ZDUSSCGKSA-N. The full InChI is InChI=1S/C15H24N4O/c1-4-19-12-14(11-16-19)15(20)17(3)9-10-18-8-6-5-7-13(18)2/h4,11-13H,1,5-10H2,2-3H3/t13-/m0/s1.
What are the key properties of 1-ethenyl-N-methyl-N-[2-[(2S)-2-methylpiperidin-1-yl]ethyl]pyrazole-4-carboxamide?
1-ethenyl-N-methyl-N-[2-[(2S)-2-methylpiperidin-1-yl]ethyl]pyrazole-4-carboxamide has a molecular weight of 276.38 g/mol, XLogP of 1.93, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethenyl-N-methyl-N-[2-[(2S)-2-methylpiperidin-1-yl]ethyl]pyrazole-4-carboxamide is sourced from PubChem (CID 95402859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).