N-(2-methylpropyl)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]cyclopentanecarboxamide

C17H29N3O — CID 46396702

IUPACN-(2-methylpropyl)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]cyclopentanecarboxamide
SMILESCc1nn(C)c(C)c1CN(CC(C)C)C(=O)C1CCCC1
InChIInChI=1S/C17H29N3O/c1-12(2)10-20(17(21)15-8-6-7-9-15)11-16-13(3)18-19(5)14(16)4/h12,15H,6-11H2,1-5H3
InChIKeyHKRLDIVQZOUCAV-UHFFFAOYSA-N
MW291.44 g/mol
LogP3.21
Rot. Bonds5

About N-(2-methylpropyl)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]cyclopentanecarboxamide

N-(2-methylpropyl)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]cyclopentanecarboxamide (PubChem CID 46396702) has the molecular formula C17H29N3O and a molecular weight of 291.44 g/mol. Its IUPAC name is N-(2-methylpropyl)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]cyclopentanecarboxamide.

Molecular Properties

Compound NameN-(2-methylpropyl)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]cyclopentanecarboxamide
PubChem CID46396702
Molecular FormulaC17H29N3O
Molecular Weight291.44 g/mol
Exact Mass291.23
IUPAC NameN-(2-methylpropyl)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]cyclopentanecarboxamide
SMILESCc1nn(C)c(C)c1CN(CC(C)C)C(=O)C1CCCC1
InChIInChI=1S/C17H29N3O/c1-12(2)10-20(17(21)15-8-6-7-9-15)11-16-13(3)18-19(5)14(16)4/h12,15H,6-11H2,1-5H3
InChIKeyHKRLDIVQZOUCAV-UHFFFAOYSA-N
XLogP3.21
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.44
LogP ≤ 53.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze N-(2-methylpropyl)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]cyclopentanecarboxamide 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 N-(2-methylpropyl)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]cyclopentanecarboxamide?
The IUPAC name of N-(2-methylpropyl)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]cyclopentanecarboxamide (CID 46396702) is N-(2-methylpropyl)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]cyclopentanecarboxamide.
What is the SMILES notation for N-(2-methylpropyl)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]cyclopentanecarboxamide?
The canonical SMILES for N-(2-methylpropyl)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]cyclopentanecarboxamide is Cc1nn(C)c(C)c1CN(CC(C)C)C(=O)C1CCCC1.
What is the InChIKey of N-(2-methylpropyl)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]cyclopentanecarboxamide?
The InChIKey is HKRLDIVQZOUCAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29N3O/c1-12(2)10-20(17(21)15-8-6-7-9-15)11-16-13(3)18-19(5)14(16)4/h12,15H,6-11H2,1-5H3.
What are the key properties of N-(2-methylpropyl)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]cyclopentanecarboxamide?
N-(2-methylpropyl)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]cyclopentanecarboxamide has a molecular weight of 291.44 g/mol, XLogP of 3.21, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylpropyl)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]cyclopentanecarboxamide is sourced from PubChem (CID 46396702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).