N-butyl-N-methyl-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carboxamide

C12H19N3O — CID 110388870

IUPACN-butyl-N-methyl-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carboxamide
SMILESCCCCN(C)C(=O)c1n[nH]c2c1CCC2
InChIInChI=1S/C12H19N3O/c1-3-4-8-15(2)12(16)11-9-6-5-7-10(9)13-14-11/h3-8H2,1-2H3,(H,13,14)
InChIKeyYUPSILNSWGUGQD-UHFFFAOYSA-N
MW221.30 g/mol
LogP1.77
Rot. Bonds4

About N-butyl-N-methyl-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carboxamide

N-butyl-N-methyl-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carboxamide (PubChem CID 110388870) has the molecular formula C12H19N3O and a molecular weight of 221.30 g/mol. Its IUPAC name is N-butyl-N-methyl-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carboxamide.

Molecular Properties

Compound NameN-butyl-N-methyl-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carboxamide
PubChem CID110388870
Molecular FormulaC12H19N3O
Molecular Weight221.30 g/mol
Exact Mass221.15
IUPAC NameN-butyl-N-methyl-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carboxamide
SMILESCCCCN(C)C(=O)c1n[nH]c2c1CCC2
InChIInChI=1S/C12H19N3O/c1-3-4-8-15(2)12(16)11-9-6-5-7-10(9)13-14-11/h3-8H2,1-2H3,(H,13,14)
InChIKeyYUPSILNSWGUGQD-UHFFFAOYSA-N
XLogP1.77
TPSA48.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.30
LogP ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-butyl-N-methyl-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carboxamide with MolForge

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

Launch Full Analysis

Related Compounds

N-(3-amino-4-methylpentyl)-N-methyl-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carboxamide;hydrochloride
CID 119657524
N-[(5-ethyl-2-pyridinyl)methyl]-N-methyl-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carboxamide
CID 119073687
N-[3-hydroxy-2-(hydroxymethyl)-2-methylpropyl]-N-methyl-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide
CID 110026262
4-amino-N-butyl-N,5-dimethyl-1H-pyrazole-3-carboxamide
CID 62081030
N-methyl-N-phenyl-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carboxamide
CID 110388880
N-(1,4,5,6,7,8-hexahydrocyclohepta[d]pyrazol-3-ylmethyl)-N-methyl-4,5,6,7-tetrahydro-1H-pyrazolo[5,4-c]pyridine-3-carboxamide
CID 165425789
4-amino-N-butyl-5-ethyl-N-methyl-1H-pyrazole-3-carboxamide
CID 62081799
4-amino-N-butyl-5-cyclopropyl-N-methyl-1H-pyrazole-3-carboxamide
CID 62075477
N-(2-methylpropyl)-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carboxamide
CID 110388801
N-(3-hydroxypropyl)-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carboxamide
CID 110898774
N-[2-(dimethylsulfamoyl)ethyl]-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carboxamide
CID 119074036
N-(2-ethyl-2-hydroxybutyl)-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carboxamide
CID 111483508

Frequently Asked Questions

What is the IUPAC name of N-butyl-N-methyl-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carboxamide?
The IUPAC name of N-butyl-N-methyl-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carboxamide (CID 110388870) is N-butyl-N-methyl-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carboxamide.
What is the SMILES notation for N-butyl-N-methyl-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carboxamide?
The canonical SMILES for N-butyl-N-methyl-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carboxamide is CCCCN(C)C(=O)c1n[nH]c2c1CCC2.
What is the InChIKey of N-butyl-N-methyl-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carboxamide?
The InChIKey is YUPSILNSWGUGQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O/c1-3-4-8-15(2)12(16)11-9-6-5-7-10(9)13-14-11/h3-8H2,1-2H3,(H,13,14).
What are the key properties of N-butyl-N-methyl-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carboxamide?
N-butyl-N-methyl-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carboxamide has a molecular weight of 221.30 g/mol, XLogP of 1.77, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-N-methyl-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carboxamide is sourced from PubChem (CID 110388870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).