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

C15H17ClFN3 — CID 103041569

IUPACN-[[1-[(3-chloro-4-fluorophenyl)methyl]-3-methylpyrazol-4-yl]methyl]cyclopropanamine
SMILESCc1nn(Cc2ccc(F)c(Cl)c2)cc1CNC1CC1
InChIInChI=1S/C15H17ClFN3/c1-10-12(7-18-13-3-4-13)9-20(19-10)8-11-2-5-15(17)14(16)6-11/h2,5-6,9,13,18H,3-4,7-8H2,1H3
InChIKeyYOESKWIGXVOTSR-UHFFFAOYSA-N
MW293.77 g/mol
LogP3.28
Rot. Bonds5

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

N-[[1-[(3-chloro-4-fluorophenyl)methyl]-3-methylpyrazol-4-yl]methyl]cyclopropanamine (PubChem CID 103041569) has the molecular formula C15H17ClFN3 and a molecular weight of 293.77 g/mol. Its IUPAC name is N-[[1-[(3-chloro-4-fluorophenyl)methyl]-3-methylpyrazol-4-yl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[1-[(3-chloro-4-fluorophenyl)methyl]-3-methylpyrazol-4-yl]methyl]cyclopropanamine
PubChem CID103041569
Molecular FormulaC15H17ClFN3
Molecular Weight293.77 g/mol
Exact Mass293.11
IUPAC NameN-[[1-[(3-chloro-4-fluorophenyl)methyl]-3-methylpyrazol-4-yl]methyl]cyclopropanamine
SMILESCc1nn(Cc2ccc(F)c(Cl)c2)cc1CNC1CC1
InChIInChI=1S/C15H17ClFN3/c1-10-12(7-18-13-3-4-13)9-20(19-10)8-11-2-5-15(17)14(16)6-11/h2,5-6,9,13,18H,3-4,7-8H2,1H3
InChIKeyYOESKWIGXVOTSR-UHFFFAOYSA-N
XLogP3.28
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.77
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[[1-[(3-chloro-4-fluorophenyl)methyl]-3-methylpyrazol-4-yl]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-[[1-[(4-iodophenyl)methyl]-3-methylpyrazol-4-yl]methyl]cyclopropanamine
CID 65488971
N-[[1-[(3-chloro-4-fluorophenyl)methyl]-5-methylpyrazol-4-yl]methyl]cyclopropanamine
CID 103041561
N-[[1-[(3-bromo-5-fluorophenyl)methyl]-3-methylpyrazol-4-yl]methyl]cyclopropanamine
CID 79709192
N-[[1-[(3-chloro-4-fluorophenyl)methyl]tetrazol-5-yl]methyl]cyclopropanamine
CID 62735977
4-tert-butyl-N-[(3-chloro-4-fluorophenyl)methyl]cyclohexan-1-amine
CID 63476637
N-[2-(3-chloro-4-fluorophenyl)ethyl]cyclopropanamine
CID 80503769
N-[[1-[(3,4-difluorophenyl)methyl]-1,2,4-triazol-3-yl]methyl]cyclopropanamine
CID 82923811
N-[[1-[(3,4-difluorophenyl)methyl]pyrazol-4-yl]methyl]cyclopropanamine
CID 82930291
6-N-[4-[(3-chloro-4-fluorophenyl)methylamino]cyclohexyl]-4-N,4-N,2-trimethylpyrimidine-4,6-diamine
CID 141223868
N-[[4-fluoro-3-(3-methyl-1-propylpyrazol-4-yl)phenyl]methyl]cyclopropanamine
CID 66021448
N-[(3-chloro-4-fluorophenyl)methyl]-1-cyclopropylpiperidin-4-amine
CID 81144619
N-[[1-[(5-chloro-2-fluorophenyl)methyl]-3-methylpyrazol-4-yl]methyl]-2-methylpropan-2-amine
CID 103050335

Frequently Asked Questions

What is the IUPAC name of N-[[1-[(3-chloro-4-fluorophenyl)methyl]-3-methylpyrazol-4-yl]methyl]cyclopropanamine?
The IUPAC name of N-[[1-[(3-chloro-4-fluorophenyl)methyl]-3-methylpyrazol-4-yl]methyl]cyclopropanamine (CID 103041569) is N-[[1-[(3-chloro-4-fluorophenyl)methyl]-3-methylpyrazol-4-yl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[1-[(3-chloro-4-fluorophenyl)methyl]-3-methylpyrazol-4-yl]methyl]cyclopropanamine?
The canonical SMILES for N-[[1-[(3-chloro-4-fluorophenyl)methyl]-3-methylpyrazol-4-yl]methyl]cyclopropanamine is Cc1nn(Cc2ccc(F)c(Cl)c2)cc1CNC1CC1.
What is the InChIKey of N-[[1-[(3-chloro-4-fluorophenyl)methyl]-3-methylpyrazol-4-yl]methyl]cyclopropanamine?
The InChIKey is YOESKWIGXVOTSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17ClFN3/c1-10-12(7-18-13-3-4-13)9-20(19-10)8-11-2-5-15(17)14(16)6-11/h2,5-6,9,13,18H,3-4,7-8H2,1H3.
What are the key properties of N-[[1-[(3-chloro-4-fluorophenyl)methyl]-3-methylpyrazol-4-yl]methyl]cyclopropanamine?
N-[[1-[(3-chloro-4-fluorophenyl)methyl]-3-methylpyrazol-4-yl]methyl]cyclopropanamine has a molecular weight of 293.77 g/mol, XLogP of 3.28, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-[(3-chloro-4-fluorophenyl)methyl]-3-methylpyrazol-4-yl]methyl]cyclopropanamine is sourced from PubChem (CID 103041569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).