N-[[4-(4-chloropyrazol-1-yl)-2-methylphenyl]methyl]cyclopropanamine

C14H16ClN3 — CID 55038787

IUPACN-[[4-(4-chloropyrazol-1-yl)-2-methylphenyl]methyl]cyclopropanamine
SMILESCc1cc(-n2cc(Cl)cn2)ccc1CNC1CC1
InChIInChI=1S/C14H16ClN3/c1-10-6-14(18-9-12(15)8-17-18)5-2-11(10)7-16-13-3-4-13/h2,5-6,8-9,13,16H,3-4,7H2,1H3
InChIKeyRVXMZTVBCNEUNH-UHFFFAOYSA-N
MW261.76 g/mol
LogP3.09
Rot. Bonds4

About N-[[4-(4-chloropyrazol-1-yl)-2-methylphenyl]methyl]cyclopropanamine

N-[[4-(4-chloropyrazol-1-yl)-2-methylphenyl]methyl]cyclopropanamine (PubChem CID 55038787) has the molecular formula C14H16ClN3 and a molecular weight of 261.76 g/mol. Its IUPAC name is N-[[4-(4-chloropyrazol-1-yl)-2-methylphenyl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[4-(4-chloropyrazol-1-yl)-2-methylphenyl]methyl]cyclopropanamine
PubChem CID55038787
Molecular FormulaC14H16ClN3
Molecular Weight261.76 g/mol
Exact Mass261.10
IUPAC NameN-[[4-(4-chloropyrazol-1-yl)-2-methylphenyl]methyl]cyclopropanamine
SMILESCc1cc(-n2cc(Cl)cn2)ccc1CNC1CC1
InChIInChI=1S/C14H16ClN3/c1-10-6-14(18-9-12(15)8-17-18)5-2-11(10)7-16-13-3-4-13/h2,5-6,8-9,13,16H,3-4,7H2,1H3
InChIKeyRVXMZTVBCNEUNH-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-(4-chloropyrazol-1-yl)-2-methylphenyl]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-(4-chloropyrazol-1-yl)-3-pyridinyl]methyl]cyclopropanamine
CID 81254178
N-[[4-(3,5-dimethyl-1,2,4-triazol-1-yl)-2-methylphenyl]methyl]cyclopropanamine
CID 62130836
N-[[1-(3-chlorophenyl)pyrazol-4-yl]methyl]cyclopropanamine
CID 61270362
N-[[4-(3,5-dimethylpiperidin-1-yl)-2-methylphenyl]methyl]cyclopropanamine
CID 62136029
N-[[2-(4-chloropyrazol-1-yl)quinolin-4-yl]methyl]cyclopropanamine
CID 62294024
1-[4-(4-bromopyrazol-1-yl)-2-methylphenyl]-N-methylmethanamine
CID 62129311
N-[[2-(4-bromopyrazol-1-yl)-4-chlorophenyl]methyl]cyclopropanamine
CID 114854335
N-[[1-(3,4-dichlorophenyl)-5-methylpyrazol-4-yl]methyl]cyclopropanamine
CID 54982355
N-[[2-methyl-4-(2,3,5-trimethylpiperidin-1-yl)phenyl]methyl]cyclopropanamine
CID 114594245
N-[[4-(3,4-dimethylpiperazin-1-yl)-2-methylphenyl]methyl]cyclopropanamine
CID 63633586
N-[[4-(4-benzylpiperazin-1-yl)-2-methylphenyl]methyl]cyclopropanamine
CID 113228612
N-[[4-(2-ethylazepan-1-yl)-2-methylphenyl]methyl]cyclopropanamine
CID 104690769

Frequently Asked Questions

What is the IUPAC name of N-[[4-(4-chloropyrazol-1-yl)-2-methylphenyl]methyl]cyclopropanamine?
The IUPAC name of N-[[4-(4-chloropyrazol-1-yl)-2-methylphenyl]methyl]cyclopropanamine (CID 55038787) is N-[[4-(4-chloropyrazol-1-yl)-2-methylphenyl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[4-(4-chloropyrazol-1-yl)-2-methylphenyl]methyl]cyclopropanamine?
The canonical SMILES for N-[[4-(4-chloropyrazol-1-yl)-2-methylphenyl]methyl]cyclopropanamine is Cc1cc(-n2cc(Cl)cn2)ccc1CNC1CC1.
What is the InChIKey of N-[[4-(4-chloropyrazol-1-yl)-2-methylphenyl]methyl]cyclopropanamine?
The InChIKey is RVXMZTVBCNEUNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16ClN3/c1-10-6-14(18-9-12(15)8-17-18)5-2-11(10)7-16-13-3-4-13/h2,5-6,8-9,13,16H,3-4,7H2,1H3.
What are the key properties of N-[[4-(4-chloropyrazol-1-yl)-2-methylphenyl]methyl]cyclopropanamine?
N-[[4-(4-chloropyrazol-1-yl)-2-methylphenyl]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-(4-chloropyrazol-1-yl)-2-methylphenyl]methyl]cyclopropanamine is sourced from PubChem (CID 55038787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).