1-[2-(3-aminopyrazol-1-yl)acetyl]-N-methylpiperidine-3-carboxamide

C12H19N5O2 — CID 103194086

IUPAC1-[2-(3-aminopyrazol-1-yl)acetyl]-N-methylpiperidine-3-carboxamide
SMILESCNC(=O)C1CCCN(C(=O)Cn2ccc(N)n2)C1
InChIInChI=1S/C12H19N5O2/c1-14-12(19)9-3-2-5-16(7-9)11(18)8-17-6-4-10(13)15-17/h4,6,9H,2-3,5,7-8H2,1H3,(H2,13,15)(H,14,19)
InChIKeyVRWHNWSMZGLZQQ-UHFFFAOYSA-N
MW265.32 g/mol
LogP-0.55
Rot. Bonds3

About 1-[2-(3-aminopyrazol-1-yl)acetyl]-N-methylpiperidine-3-carboxamide

1-[2-(3-aminopyrazol-1-yl)acetyl]-N-methylpiperidine-3-carboxamide (PubChem CID 103194086) has the molecular formula C12H19N5O2 and a molecular weight of 265.32 g/mol. Its IUPAC name is 1-[2-(3-aminopyrazol-1-yl)acetyl]-N-methylpiperidine-3-carboxamide.

Molecular Properties

Compound Name1-[2-(3-aminopyrazol-1-yl)acetyl]-N-methylpiperidine-3-carboxamide
PubChem CID103194086
Molecular FormulaC12H19N5O2
Molecular Weight265.32 g/mol
Exact Mass265.15
IUPAC Name1-[2-(3-aminopyrazol-1-yl)acetyl]-N-methylpiperidine-3-carboxamide
SMILESCNC(=O)C1CCCN(C(=O)Cn2ccc(N)n2)C1
InChIInChI=1S/C12H19N5O2/c1-14-12(19)9-3-2-5-16(7-9)11(18)8-17-6-4-10(13)15-17/h4,6,9H,2-3,5,7-8H2,1H3,(H2,13,15)(H,14,19)
InChIKeyVRWHNWSMZGLZQQ-UHFFFAOYSA-N
XLogP-0.55
TPSA93.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.32
LogP ≤ 5-0.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-(3-aminopyrazol-1-yl)-1-[3-(trifluoromethyl)piperidin-1-yl]ethanone
CID 62101229
2-(3-aminopyrazol-1-yl)-1-[3-(diethylamino)pyrrolidin-1-yl]ethanone
CID 55160891
2-(3-aminopyrazol-1-yl)-1-(2-methylmorpholin-4-yl)ethanone
CID 62101718
2-(3-aminopyrazol-1-yl)-1-(4-methylpiperazin-1-yl)ethanone
CID 54594517
1-[3-(2-aminophenyl)propanoyl]-N-methylpiperidine-3-carboxamide
CID 103197591
methyl (3S)-1-[2-(3-nitropyrazol-1-yl)acetyl]piperidine-3-carboxylate
CID 78919600
2-(3-aminopyrazol-1-yl)-1-(4-hydroxy-4-methylazepan-1-yl)ethanone
CID 107403471
(3S)-N-methyl-1-(3-phenylpropanoyl)piperidine-3-carboxamide
CID 154967020
1-[2-[3-(trifluoromethyl)pyrazol-1-yl]acetyl]piperidine-3-carboxylic acid
CID 43355789
2-(3-aminopyrazol-1-yl)-N-methylacetamide
CID 60783095
2-(3-aminopyrazol-1-yl)-1-thiomorpholin-4-ylethanone
CID 62102676
1-[(E)-3-(4-aminophenyl)prop-2-enoyl]-N-methylpiperidine-3-carboxamide
CID 103195240

Frequently Asked Questions

What is the IUPAC name of 1-[2-(3-aminopyrazol-1-yl)acetyl]-N-methylpiperidine-3-carboxamide?
The IUPAC name of 1-[2-(3-aminopyrazol-1-yl)acetyl]-N-methylpiperidine-3-carboxamide (CID 103194086) is 1-[2-(3-aminopyrazol-1-yl)acetyl]-N-methylpiperidine-3-carboxamide.
What is the SMILES notation for 1-[2-(3-aminopyrazol-1-yl)acetyl]-N-methylpiperidine-3-carboxamide?
The canonical SMILES for 1-[2-(3-aminopyrazol-1-yl)acetyl]-N-methylpiperidine-3-carboxamide is CNC(=O)C1CCCN(C(=O)Cn2ccc(N)n2)C1.
What is the InChIKey of 1-[2-(3-aminopyrazol-1-yl)acetyl]-N-methylpiperidine-3-carboxamide?
The InChIKey is VRWHNWSMZGLZQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N5O2/c1-14-12(19)9-3-2-5-16(7-9)11(18)8-17-6-4-10(13)15-17/h4,6,9H,2-3,5,7-8H2,1H3,(H2,13,15)(H,14,19).
What are the key properties of 1-[2-(3-aminopyrazol-1-yl)acetyl]-N-methylpiperidine-3-carboxamide?
1-[2-(3-aminopyrazol-1-yl)acetyl]-N-methylpiperidine-3-carboxamide has a molecular weight of 265.32 g/mol, XLogP of -0.55, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(3-aminopyrazol-1-yl)acetyl]-N-methylpiperidine-3-carboxamide is sourced from PubChem (CID 103194086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).