N-[[4-chloro-2-(3-methylpyrazol-1-yl)phenyl]methyl]cyclopropanamine

C14H16ClN3 — CID 114854553

IUPACN-[[4-chloro-2-(3-methylpyrazol-1-yl)phenyl]methyl]cyclopropanamine
SMILESCc1ccn(-c2cc(Cl)ccc2CNC2CC2)n1
InChIInChI=1S/C14H16ClN3/c1-10-6-7-18(17-10)14-8-12(15)3-2-11(14)9-16-13-4-5-13/h2-3,6-8,13,16H,4-5,9H2,1H3
InChIKeyWMBINAGJWOVGJI-UHFFFAOYSA-N
MW261.76 g/mol
LogP3.09
Rot. Bonds4

About N-[[4-chloro-2-(3-methylpyrazol-1-yl)phenyl]methyl]cyclopropanamine

N-[[4-chloro-2-(3-methylpyrazol-1-yl)phenyl]methyl]cyclopropanamine (PubChem CID 114854553) has the molecular formula C14H16ClN3 and a molecular weight of 261.76 g/mol. Its IUPAC name is N-[[4-chloro-2-(3-methylpyrazol-1-yl)phenyl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[4-chloro-2-(3-methylpyrazol-1-yl)phenyl]methyl]cyclopropanamine
PubChem CID114854553
Molecular FormulaC14H16ClN3
Molecular Weight261.76 g/mol
Exact Mass261.10
IUPAC NameN-[[4-chloro-2-(3-methylpyrazol-1-yl)phenyl]methyl]cyclopropanamine
SMILESCc1ccn(-c2cc(Cl)ccc2CNC2CC2)n1
InChIInChI=1S/C14H16ClN3/c1-10-6-7-18(17-10)14-8-12(15)3-2-11(14)9-16-13-4-5-13/h2-3,6-8,13,16H,4-5,9H2,1H3
InChIKeyWMBINAGJWOVGJI-UHFFFAOYSA-N
XLogP3.09
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.76
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[[4-chloro-2-(3-methylpyrazol-1-yl)phenyl]methyl]cyclopropanamine 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-[[4-bromo-2-(3-methylpyrazol-1-yl)phenyl]methyl]cyclopropanamine
CID 62487448
N-[[4-chloro-2-(3-methylpyrazol-1-yl)phenyl]methyl]-2-methylpropan-2-amine
CID 114854535
N-[[2-(4-bromopyrazol-1-yl)-4-chlorophenyl]methyl]cyclopropanamine
CID 114854335
N-[[1-(2-bromo-5-chlorophenyl)pyrazol-3-yl]methyl]cyclopropanamine
CID 81272307
1-[5-chloro-2-(3-methylpyrazol-1-yl)phenyl]-N-methylmethanamine
CID 114854548
N-[[5-chloro-2-[3-(trifluoromethyl)pyrazol-1-yl]phenyl]methyl]cyclopropanamine
CID 114854449
2-[5-chloro-2-[(cyclopropylamino)methyl]phenyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-4-ol
CID 114853355
1-[4-chloro-2-[(cyclopropylamino)methyl]phenyl]pyrazole-3-carboxamide
CID 114854747
N-[[4-chloro-2-(2-propylimidazol-1-yl)phenyl]methyl]cyclopropanamine
CID 114854661
N-[(5-chloro-2-imidazol-1-ylphenyl)methyl]cyclopropanamine
CID 114854126
N-[[4-chloro-2-(3-methylmorpholin-4-yl)phenyl]methyl]cyclopropanamine
CID 114848287
N-[[4-chloro-2-(2-methylmorpholin-4-yl)phenyl]methyl]cyclopropanamine
CID 114847342

Frequently Asked Questions

What is the IUPAC name of N-[[4-chloro-2-(3-methylpyrazol-1-yl)phenyl]methyl]cyclopropanamine?
The IUPAC name of N-[[4-chloro-2-(3-methylpyrazol-1-yl)phenyl]methyl]cyclopropanamine (CID 114854553) is N-[[4-chloro-2-(3-methylpyrazol-1-yl)phenyl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[4-chloro-2-(3-methylpyrazol-1-yl)phenyl]methyl]cyclopropanamine?
The canonical SMILES for N-[[4-chloro-2-(3-methylpyrazol-1-yl)phenyl]methyl]cyclopropanamine is Cc1ccn(-c2cc(Cl)ccc2CNC2CC2)n1.
What is the InChIKey of N-[[4-chloro-2-(3-methylpyrazol-1-yl)phenyl]methyl]cyclopropanamine?
The InChIKey is WMBINAGJWOVGJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16ClN3/c1-10-6-7-18(17-10)14-8-12(15)3-2-11(14)9-16-13-4-5-13/h2-3,6-8,13,16H,4-5,9H2,1H3.
What are the key properties of N-[[4-chloro-2-(3-methylpyrazol-1-yl)phenyl]methyl]cyclopropanamine?
N-[[4-chloro-2-(3-methylpyrazol-1-yl)phenyl]methyl]cyclopropanamine has a molecular weight of 261.76 g/mol, XLogP of 3.09, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-chloro-2-(3-methylpyrazol-1-yl)phenyl]methyl]cyclopropanamine is sourced from PubChem (CID 114854553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).