1,3,5-trimethyl-N-(6-oxopiperidin-3-yl)pyrazole-4-carboxamide

C12H18N4O2 — CID 62896612

IUPAC1,3,5-trimethyl-N-(6-oxopiperidin-3-yl)pyrazole-4-carboxamide
SMILESCc1nn(C)c(C)c1C(=O)NC1CCC(=O)NC1
InChIInChI=1S/C12H18N4O2/c1-7-11(8(2)16(3)15-7)12(18)14-9-4-5-10(17)13-6-9/h9H,4-6H2,1-3H3,(H,13,17)(H,14,18)
InChIKeyDQRHFGHQTTUBMH-UHFFFAOYSA-N
MW250.30 g/mol
LogP0.05
Rot. Bonds2

About 1,3,5-trimethyl-N-(6-oxopiperidin-3-yl)pyrazole-4-carboxamide

1,3,5-trimethyl-N-(6-oxopiperidin-3-yl)pyrazole-4-carboxamide (PubChem CID 62896612) has the molecular formula C12H18N4O2 and a molecular weight of 250.30 g/mol. Its IUPAC name is 1,3,5-trimethyl-N-(6-oxopiperidin-3-yl)pyrazole-4-carboxamide.

Molecular Properties

Compound Name1,3,5-trimethyl-N-(6-oxopiperidin-3-yl)pyrazole-4-carboxamide
PubChem CID62896612
Molecular FormulaC12H18N4O2
Molecular Weight250.30 g/mol
Exact Mass250.14
IUPAC Name1,3,5-trimethyl-N-(6-oxopiperidin-3-yl)pyrazole-4-carboxamide
SMILESCc1nn(C)c(C)c1C(=O)NC1CCC(=O)NC1
InChIInChI=1S/C12H18N4O2/c1-7-11(8(2)16(3)15-7)12(18)14-9-4-5-10(17)13-6-9/h9H,4-6H2,1-3H3,(H,13,17)(H,14,18)
InChIKeyDQRHFGHQTTUBMH-UHFFFAOYSA-N
XLogP0.05
TPSA76.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.30
LogP ≤ 50.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(1-ethyl-3,5-dimethyl-1H-pyrazol-4-yl)methyl]-2-(1-isobutyl-3-oxo-2-piperazinyl)acetamide
CID 16190571
2-[1-(2,2-dimethylpropyl)-3-oxopiperazin-2-yl]-N-[(1-ethyl-3,5-dimethyl-1H-pyrazol-4-yl)methyl]acetamide
CID 16191037
N~3~-[2-(1-ethyl-3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-1,3-piperidinedicarboxamide
CID 70749819
1-(2-amino-2-oxoethyl)-N-[2-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethyl]piperidine-3-carboxamide
CID 70759029
2-Cyclohexyl-1-[4-(1,3,5-trimethylpyrazole-4-carbonyl)piperazin-1-yl]ethanone
CID 72025347
1-acetyl-N-[2-(1-ethyl-3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-3-piperidinecarboxamide
CID 72845553
1-cyclopentyl-N-[2-(1-ethyl-3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-3-piperidinecarboxamide
CID 72880570
N~3~-[2-(1-ethyl-3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-N~1~,N~1~-dimethyl-1,3-piperidinedicarboxamide
CID 72899714
N~3~-[2-(4-ethyl-3,5-dimethyl-1H-pyrazol-1-yl)ethyl]-N~1~,N~1~-dimethyl-1,3-piperidinedicarboxamide
CID 72920322
1-cyclopentyl-N-[2-(1-ethyl-3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-6-oxo-3-piperidinecarboxamide
CID 72880259
2,3-dimethyl-2H,4H,5H,6H,7H-pyrazolo(3,4-c)pyridin-7-one
CID 165996482
N-ethyl-1,3-dimethyl-5-propan-2-ylpyrazole-4-carboxamide
CID 42669809

Frequently Asked Questions

What is the IUPAC name of 1,3,5-trimethyl-N-(6-oxopiperidin-3-yl)pyrazole-4-carboxamide?
The IUPAC name of 1,3,5-trimethyl-N-(6-oxopiperidin-3-yl)pyrazole-4-carboxamide (CID 62896612) is 1,3,5-trimethyl-N-(6-oxopiperidin-3-yl)pyrazole-4-carboxamide.
What is the SMILES notation for 1,3,5-trimethyl-N-(6-oxopiperidin-3-yl)pyrazole-4-carboxamide?
The canonical SMILES for 1,3,5-trimethyl-N-(6-oxopiperidin-3-yl)pyrazole-4-carboxamide is Cc1nn(C)c(C)c1C(=O)NC1CCC(=O)NC1.
What is the InChIKey of 1,3,5-trimethyl-N-(6-oxopiperidin-3-yl)pyrazole-4-carboxamide?
The InChIKey is DQRHFGHQTTUBMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4O2/c1-7-11(8(2)16(3)15-7)12(18)14-9-4-5-10(17)13-6-9/h9H,4-6H2,1-3H3,(H,13,17)(H,14,18).
What are the key properties of 1,3,5-trimethyl-N-(6-oxopiperidin-3-yl)pyrazole-4-carboxamide?
1,3,5-trimethyl-N-(6-oxopiperidin-3-yl)pyrazole-4-carboxamide has a molecular weight of 250.30 g/mol, XLogP of 0.05, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3,5-trimethyl-N-(6-oxopiperidin-3-yl)pyrazole-4-carboxamide is sourced from PubChem (CID 62896612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).