1-tert-butyl-5-methyl-N-(2-methylpiperidin-4-yl)pyrazole-4-carboxamide

C15H26N4O — CID 120602508

IUPAC1-tert-butyl-5-methyl-N-(2-methylpiperidin-4-yl)pyrazole-4-carboxamide
SMILESCc1c(C(=O)NC2CCNC(C)C2)cnn1C(C)(C)C
InChIInChI=1S/C15H26N4O/c1-10-8-12(6-7-16-10)18-14(20)13-9-17-19(11(13)2)15(3,4)5/h9-10,12,16H,6-8H2,1-5H3,(H,18,20)
InChIKeyYVQJPOFVVOFMLL-UHFFFAOYSA-N
MW278.40 g/mol
LogP1.82
Rot. Bonds2

About 1-tert-butyl-5-methyl-N-(2-methylpiperidin-4-yl)pyrazole-4-carboxamide

1-tert-butyl-5-methyl-N-(2-methylpiperidin-4-yl)pyrazole-4-carboxamide (PubChem CID 120602508) has the molecular formula C15H26N4O and a molecular weight of 278.40 g/mol. Its IUPAC name is 1-tert-butyl-5-methyl-N-(2-methylpiperidin-4-yl)pyrazole-4-carboxamide.

Molecular Properties

Compound Name1-tert-butyl-5-methyl-N-(2-methylpiperidin-4-yl)pyrazole-4-carboxamide
PubChem CID120602508
Molecular FormulaC15H26N4O
Molecular Weight278.40 g/mol
Exact Mass278.21
IUPAC Name1-tert-butyl-5-methyl-N-(2-methylpiperidin-4-yl)pyrazole-4-carboxamide
SMILESCc1c(C(=O)NC2CCNC(C)C2)cnn1C(C)(C)C
InChIInChI=1S/C15H26N4O/c1-10-8-12(6-7-16-10)18-14(20)13-9-17-19(11(13)2)15(3,4)5/h9-10,12,16H,6-8H2,1-5H3,(H,18,20)
InChIKeyYVQJPOFVVOFMLL-UHFFFAOYSA-N
XLogP1.82
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.40
LogP ≤ 51.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 1-tert-butyl-5-methyl-N-(2-methylpiperidin-4-yl)pyrazole-4-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-5-methyl-N-(2-methylpiperidin-4-yl)pyrazole-4-carboxamide?
The IUPAC name of 1-tert-butyl-5-methyl-N-(2-methylpiperidin-4-yl)pyrazole-4-carboxamide (CID 120602508) is 1-tert-butyl-5-methyl-N-(2-methylpiperidin-4-yl)pyrazole-4-carboxamide.
What is the SMILES notation for 1-tert-butyl-5-methyl-N-(2-methylpiperidin-4-yl)pyrazole-4-carboxamide?
The canonical SMILES for 1-tert-butyl-5-methyl-N-(2-methylpiperidin-4-yl)pyrazole-4-carboxamide is Cc1c(C(=O)NC2CCNC(C)C2)cnn1C(C)(C)C.
What is the InChIKey of 1-tert-butyl-5-methyl-N-(2-methylpiperidin-4-yl)pyrazole-4-carboxamide?
The InChIKey is YVQJPOFVVOFMLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N4O/c1-10-8-12(6-7-16-10)18-14(20)13-9-17-19(11(13)2)15(3,4)5/h9-10,12,16H,6-8H2,1-5H3,(H,18,20).
What are the key properties of 1-tert-butyl-5-methyl-N-(2-methylpiperidin-4-yl)pyrazole-4-carboxamide?
1-tert-butyl-5-methyl-N-(2-methylpiperidin-4-yl)pyrazole-4-carboxamide has a molecular weight of 278.40 g/mol, XLogP of 1.82, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-5-methyl-N-(2-methylpiperidin-4-yl)pyrazole-4-carboxamide is sourced from PubChem (CID 120602508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).