N-(2,2-dimethylcyclopentyl)-4-(pyrazol-1-ylmethyl)aniline

C17H23N3 — CID 79859948

IUPACN-(2,2-dimethylcyclopentyl)-4-(pyrazol-1-ylmethyl)aniline
SMILESCC1(C)CCCC1Nc1ccc(Cn2cccn2)cc1
InChIInChI=1S/C17H23N3/c1-17(2)10-3-5-16(17)19-15-8-6-14(7-9-15)13-20-12-4-11-18-20/h4,6-9,11-12,16,19H,3,5,10,13H2,1-2H3
InChIKeyYKLXAKUVCBFCNB-UHFFFAOYSA-N
MW269.39 g/mol
LogP3.92
Rot. Bonds4

About N-(2,2-dimethylcyclopentyl)-4-(pyrazol-1-ylmethyl)aniline

N-(2,2-dimethylcyclopentyl)-4-(pyrazol-1-ylmethyl)aniline (PubChem CID 79859948) has the molecular formula C17H23N3 and a molecular weight of 269.39 g/mol. Its IUPAC name is N-(2,2-dimethylcyclopentyl)-4-(pyrazol-1-ylmethyl)aniline.

Molecular Properties

Compound NameN-(2,2-dimethylcyclopentyl)-4-(pyrazol-1-ylmethyl)aniline
PubChem CID79859948
Molecular FormulaC17H23N3
Molecular Weight269.39 g/mol
Exact Mass269.19
IUPAC NameN-(2,2-dimethylcyclopentyl)-4-(pyrazol-1-ylmethyl)aniline
SMILESCC1(C)CCCC1Nc1ccc(Cn2cccn2)cc1
InChIInChI=1S/C17H23N3/c1-17(2)10-3-5-16(17)19-15-8-6-14(7-9-15)13-20-12-4-11-18-20/h4,6-9,11-12,16,19H,3,5,10,13H2,1-2H3
InChIKeyYKLXAKUVCBFCNB-UHFFFAOYSA-N
XLogP3.92
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.39
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-(2,2-dimethylcyclopentyl)-4-(pyrazol-1-ylmethyl)aniline 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-(2,2-dimethylcyclohexyl)-4-(pyrazol-1-ylmethyl)aniline
CID 79834941
N-(2,2-dimethylcyclopentyl)-4-(pyrrolidin-1-ylmethyl)aniline
CID 79860710
N-(2,2-dimethylcyclopentyl)-4-(triazol-2-yl)aniline
CID 79859529
N-(3-methylcyclobutyl)-4-(pyrazol-1-ylmethyl)aniline
CID 104861739
N-[4-(pyrazol-1-ylmethyl)phenyl]thian-4-amine
CID 54863506
3-N-[4-(pyrazol-1-ylmethyl)phenyl]cyclopentane-1,3-diamine
CID 79461364
N-[4-(pyrazol-1-ylmethyl)phenyl]oxepan-4-amine
CID 65081807
2-methyl-N-[4-(pyrazol-1-ylmethyl)phenyl]thiolan-3-amine
CID 102671179
N-[4-(pyrazol-1-ylmethyl)phenyl]bicyclo[2.2.1]heptan-2-amine
CID 61308815
N-[4-[(2,2-dimethylcyclopentyl)amino]phenyl]propanamide
CID 79860812
1-[2-(hydroxymethyl)-2-methylcyclopentyl]-3-[[3-(pyrazol-1-ylmethyl)phenyl]methyl]urea
CID 111505115
1-[(4-ethylphenyl)methyl]pyrazole
CID 63811734

Frequently Asked Questions

What is the IUPAC name of N-(2,2-dimethylcyclopentyl)-4-(pyrazol-1-ylmethyl)aniline?
The IUPAC name of N-(2,2-dimethylcyclopentyl)-4-(pyrazol-1-ylmethyl)aniline (CID 79859948) is N-(2,2-dimethylcyclopentyl)-4-(pyrazol-1-ylmethyl)aniline.
What is the SMILES notation for N-(2,2-dimethylcyclopentyl)-4-(pyrazol-1-ylmethyl)aniline?
The canonical SMILES for N-(2,2-dimethylcyclopentyl)-4-(pyrazol-1-ylmethyl)aniline is CC1(C)CCCC1Nc1ccc(Cn2cccn2)cc1.
What is the InChIKey of N-(2,2-dimethylcyclopentyl)-4-(pyrazol-1-ylmethyl)aniline?
The InChIKey is YKLXAKUVCBFCNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3/c1-17(2)10-3-5-16(17)19-15-8-6-14(7-9-15)13-20-12-4-11-18-20/h4,6-9,11-12,16,19H,3,5,10,13H2,1-2H3.
What are the key properties of N-(2,2-dimethylcyclopentyl)-4-(pyrazol-1-ylmethyl)aniline?
N-(2,2-dimethylcyclopentyl)-4-(pyrazol-1-ylmethyl)aniline has a molecular weight of 269.39 g/mol, XLogP of 3.92, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-dimethylcyclopentyl)-4-(pyrazol-1-ylmethyl)aniline is sourced from PubChem (CID 79859948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).