N-[(4-chlorophenyl)-cyclopropylmethyl]-1-(1H-pyrazol-4-yl)ethanamine

C15H18ClN3 — CID 106209490

IUPACN-[(4-chlorophenyl)-cyclopropylmethyl]-1-(1H-pyrazol-4-yl)ethanamine
SMILESCC(NC(c1ccc(Cl)cc1)C1CC1)c1cn[nH]c1
InChIInChI=1S/C15H18ClN3/c1-10(13-8-17-18-9-13)19-15(11-2-3-11)12-4-6-14(16)7-5-12/h4-11,15,19H,2-3H2,1H3,(H,17,18)
InChIKeyPEZOHLKKXKOHKI-UHFFFAOYSA-N
MW275.78 g/mol
LogP3.87
Rot. Bonds5

About N-[(4-chlorophenyl)-cyclopropylmethyl]-1-(1H-pyrazol-4-yl)ethanamine

N-[(4-chlorophenyl)-cyclopropylmethyl]-1-(1H-pyrazol-4-yl)ethanamine (PubChem CID 106209490) has the molecular formula C15H18ClN3 and a molecular weight of 275.78 g/mol. Its IUPAC name is N-[(4-chlorophenyl)-cyclopropylmethyl]-1-(1H-pyrazol-4-yl)ethanamine.

Molecular Properties

Compound NameN-[(4-chlorophenyl)-cyclopropylmethyl]-1-(1H-pyrazol-4-yl)ethanamine
PubChem CID106209490
Molecular FormulaC15H18ClN3
Molecular Weight275.78 g/mol
Exact Mass275.12
IUPAC NameN-[(4-chlorophenyl)-cyclopropylmethyl]-1-(1H-pyrazol-4-yl)ethanamine
SMILESCC(NC(c1ccc(Cl)cc1)C1CC1)c1cn[nH]c1
InChIInChI=1S/C15H18ClN3/c1-10(13-8-17-18-9-13)19-15(11-2-3-11)12-4-6-14(16)7-5-12/h4-11,15,19H,2-3H2,1H3,(H,17,18)
InChIKeyPEZOHLKKXKOHKI-UHFFFAOYSA-N
XLogP3.87
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.78
LogP ≤ 53.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze N-[(4-chlorophenyl)-cyclopropylmethyl]-1-(1H-pyrazol-4-yl)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

N-[cyclopropyl-(4-methoxyphenyl)methyl]-1-(1H-pyrazol-4-yl)ethanamine
CID 106209383
(1R)-N-[(4-chlorophenyl)-cyclopropylmethyl]-1-(4-fluorophenyl)ethanamine
CID 81351699
(1R)-1-(4-bromophenyl)-N-[(4-chlorophenyl)-cyclopropylmethyl]ethanamine
CID 81357139
N-[(1S)-1-(4-chlorophenyl)ethyl]-1-cyclopropylethanamine
CID 81352705
N-[cyclopropyl-(4-fluorophenyl)methyl]-1-(4-methylphenyl)ethanamine
CID 60946052
(1S)-1-(3-bromophenyl)-N-[(4-chlorophenyl)-cyclopropylmethyl]ethanamine
CID 81382422
N-[(4-chlorophenyl)-cyclopropylmethyl]-1-(5-chlorothiophen-2-yl)ethanamine
CID 43782979
1-(3,4-dichlorophenyl)-N-[1-(1H-pyrazol-4-yl)ethyl]ethanamine
CID 103905228
N-[(4-chlorophenyl)-cyclopropylmethyl]-3,3-dimethylbutan-2-amine
CID 104827637
(1R)-1-(2-bromophenyl)-N-[(4-chlorophenyl)-cyclopropylmethyl]ethanamine
CID 81378755
N-[(4-chlorophenyl)-cyclopropylmethyl]-1-cyclohexylethanamine
CID 63477306
methyl 2-[[(4-chlorophenyl)-cyclopropylmethyl]amino]propanoate
CID 60666904

Frequently Asked Questions

What is the IUPAC name of N-[(4-chlorophenyl)-cyclopropylmethyl]-1-(1H-pyrazol-4-yl)ethanamine?
The IUPAC name of N-[(4-chlorophenyl)-cyclopropylmethyl]-1-(1H-pyrazol-4-yl)ethanamine (CID 106209490) is N-[(4-chlorophenyl)-cyclopropylmethyl]-1-(1H-pyrazol-4-yl)ethanamine.
What is the SMILES notation for N-[(4-chlorophenyl)-cyclopropylmethyl]-1-(1H-pyrazol-4-yl)ethanamine?
The canonical SMILES for N-[(4-chlorophenyl)-cyclopropylmethyl]-1-(1H-pyrazol-4-yl)ethanamine is CC(NC(c1ccc(Cl)cc1)C1CC1)c1cn[nH]c1.
What is the InChIKey of N-[(4-chlorophenyl)-cyclopropylmethyl]-1-(1H-pyrazol-4-yl)ethanamine?
The InChIKey is PEZOHLKKXKOHKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18ClN3/c1-10(13-8-17-18-9-13)19-15(11-2-3-11)12-4-6-14(16)7-5-12/h4-11,15,19H,2-3H2,1H3,(H,17,18).
What are the key properties of N-[(4-chlorophenyl)-cyclopropylmethyl]-1-(1H-pyrazol-4-yl)ethanamine?
N-[(4-chlorophenyl)-cyclopropylmethyl]-1-(1H-pyrazol-4-yl)ethanamine has a molecular weight of 275.78 g/mol, XLogP of 3.87, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-chlorophenyl)-cyclopropylmethyl]-1-(1H-pyrazol-4-yl)ethanamine is sourced from PubChem (CID 106209490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).