N-[(4-chloro-1-ethylpyrazol-5-yl)-[1-(2-methylpropyl)cyclopentyl]methyl]ethanamine

C17H30ClN3 — CID 105040484

IUPACN-[(4-chloro-1-ethylpyrazol-5-yl)-[1-(2-methylpropyl)cyclopentyl]methyl]ethanamine
SMILESCCNC(c1c(Cl)cnn1CC)C1(CC(C)C)CCCC1
InChIInChI=1S/C17H30ClN3/c1-5-19-16(15-14(18)12-20-21(15)6-2)17(11-13(3)4)9-7-8-10-17/h12-13,16,19H,5-11H2,1-4H3
InChIKeyHSKCATZALPRZNH-UHFFFAOYSA-N
MW311.90 g/mol
LogP4.81
Rot. Bonds7

About N-[(4-chloro-1-ethylpyrazol-5-yl)-[1-(2-methylpropyl)cyclopentyl]methyl]ethanamine

N-[(4-chloro-1-ethylpyrazol-5-yl)-[1-(2-methylpropyl)cyclopentyl]methyl]ethanamine (PubChem CID 105040484) has the molecular formula C17H30ClN3 and a molecular weight of 311.90 g/mol. Its IUPAC name is N-[(4-chloro-1-ethylpyrazol-5-yl)-[1-(2-methylpropyl)cyclopentyl]methyl]ethanamine.

Molecular Properties

Compound NameN-[(4-chloro-1-ethylpyrazol-5-yl)-[1-(2-methylpropyl)cyclopentyl]methyl]ethanamine
PubChem CID105040484
Molecular FormulaC17H30ClN3
Molecular Weight311.90 g/mol
Exact Mass311.21
IUPAC NameN-[(4-chloro-1-ethylpyrazol-5-yl)-[1-(2-methylpropyl)cyclopentyl]methyl]ethanamine
SMILESCCNC(c1c(Cl)cnn1CC)C1(CC(C)C)CCCC1
InChIInChI=1S/C17H30ClN3/c1-5-19-16(15-14(18)12-20-21(15)6-2)17(11-13(3)4)9-7-8-10-17/h12-13,16,19H,5-11H2,1-4H3
InChIKeyHSKCATZALPRZNH-UHFFFAOYSA-N
XLogP4.81
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.90
LogP ≤ 54.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[(4-chloro-1-ethylpyrazol-5-yl)-[1-(2-methylpropyl)cyclopentyl]methyl]ethanamine 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

1-[(4-chloro-1-ethylpyrazol-5-yl)-(ethylamino)methyl]-N,N-dimethylcyclopentan-1-amine
CID 114656983
[(4-chloro-1-ethylpyrazol-5-yl)-(1-ethylcyclopentyl)methyl]hydrazine
CID 105336392
1-(4-chloro-1-ethylpyrazol-5-yl)-N-methyl-1-(1-methylcyclopentyl)methanamine
CID 105040912
[(4-chloro-1-ethylpyrazol-5-yl)-(1-methoxycyclobutyl)methyl]hydrazine
CID 105270313
(4-chloro-1-ethylpyrazol-5-yl)-(1-methylcyclopentyl)methanamine
CID 105040461
N-[[1-(2-methylpropyl)cyclopentyl]-pyridin-3-ylmethyl]ethanamine
CID 115799011
(1-ethyl-4-methoxypyrazol-5-yl)-[1-(2-methylpropyl)cyclopentyl]methanol
CID 115837173
1-(4-chloro-1-ethylpyrazol-5-yl)-N-ethylnonan-1-amine
CID 105040884
1-(4-chloro-1-ethylpyrazol-5-yl)-N-ethyloctan-1-amine
CID 105040888
N-[[1-(2-methylpropyl)cyclopentyl]-(1-methylpyrazol-3-yl)methyl]ethanamine
CID 103134773
N-ethyl-1-[1-(2-methylpropyl)cyclopentyl]-3-(1-methylpyrazol-4-yl)propan-1-amine
CID 103029722
N-[(5-chloro-4-methylthiophen-2-yl)-[1-(2-methylpropyl)cyclopentyl]methyl]ethanamine
CID 102763934

Frequently Asked Questions

What is the IUPAC name of N-[(4-chloro-1-ethylpyrazol-5-yl)-[1-(2-methylpropyl)cyclopentyl]methyl]ethanamine?
The IUPAC name of N-[(4-chloro-1-ethylpyrazol-5-yl)-[1-(2-methylpropyl)cyclopentyl]methyl]ethanamine (CID 105040484) is N-[(4-chloro-1-ethylpyrazol-5-yl)-[1-(2-methylpropyl)cyclopentyl]methyl]ethanamine.
What is the SMILES notation for N-[(4-chloro-1-ethylpyrazol-5-yl)-[1-(2-methylpropyl)cyclopentyl]methyl]ethanamine?
The canonical SMILES for N-[(4-chloro-1-ethylpyrazol-5-yl)-[1-(2-methylpropyl)cyclopentyl]methyl]ethanamine is CCNC(c1c(Cl)cnn1CC)C1(CC(C)C)CCCC1.
What is the InChIKey of N-[(4-chloro-1-ethylpyrazol-5-yl)-[1-(2-methylpropyl)cyclopentyl]methyl]ethanamine?
The InChIKey is HSKCATZALPRZNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30ClN3/c1-5-19-16(15-14(18)12-20-21(15)6-2)17(11-13(3)4)9-7-8-10-17/h12-13,16,19H,5-11H2,1-4H3.
What are the key properties of N-[(4-chloro-1-ethylpyrazol-5-yl)-[1-(2-methylpropyl)cyclopentyl]methyl]ethanamine?
N-[(4-chloro-1-ethylpyrazol-5-yl)-[1-(2-methylpropyl)cyclopentyl]methyl]ethanamine has a molecular weight of 311.90 g/mol, XLogP of 4.81, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-chloro-1-ethylpyrazol-5-yl)-[1-(2-methylpropyl)cyclopentyl]methyl]ethanamine is sourced from PubChem (CID 105040484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).