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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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).