N-[[5-chloro-2-[3-(trifluoromethyl)pyrazol-1-yl]phenyl]methyl]cyclopropanamine

C14H13ClF3N3 — CID 114854449

IUPACN-[[5-chloro-2-[3-(trifluoromethyl)pyrazol-1-yl]phenyl]methyl]cyclopropanamine
SMILESFC(F)(F)c1ccn(-c2ccc(Cl)cc2CNC2CC2)n1
InChIInChI=1S/C14H13ClF3N3/c15-10-1-4-12(9(7-10)8-19-11-2-3-11)21-6-5-13(20-21)14(16,17)18/h1,4-7,11,19H,2-3,8H2
InChIKeyIKGPIUJMHVBEKQ-UHFFFAOYSA-N
MW315.73 g/mol
LogP3.80
Rot. Bonds4

About N-[[5-chloro-2-[3-(trifluoromethyl)pyrazol-1-yl]phenyl]methyl]cyclopropanamine

N-[[5-chloro-2-[3-(trifluoromethyl)pyrazol-1-yl]phenyl]methyl]cyclopropanamine (PubChem CID 114854449) has the molecular formula C14H13ClF3N3 and a molecular weight of 315.73 g/mol. Its IUPAC name is N-[[5-chloro-2-[3-(trifluoromethyl)pyrazol-1-yl]phenyl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[5-chloro-2-[3-(trifluoromethyl)pyrazol-1-yl]phenyl]methyl]cyclopropanamine
PubChem CID114854449
Molecular FormulaC14H13ClF3N3
Molecular Weight315.73 g/mol
Exact Mass315.08
IUPAC NameN-[[5-chloro-2-[3-(trifluoromethyl)pyrazol-1-yl]phenyl]methyl]cyclopropanamine
SMILESFC(F)(F)c1ccn(-c2ccc(Cl)cc2CNC2CC2)n1
InChIInChI=1S/C14H13ClF3N3/c15-10-1-4-12(9(7-10)8-19-11-2-3-11)21-6-5-13(20-21)14(16,17)18/h1,4-7,11,19H,2-3,8H2
InChIKeyIKGPIUJMHVBEKQ-UHFFFAOYSA-N
XLogP3.80
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.73
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[4-chloro-2-[(cyclopropylamino)methyl]phenyl]pyrazole-3-carboxamide
CID 114854747
N-[(5-chloro-2-imidazol-1-ylphenyl)methyl]cyclopropanamine
CID 114854126
N-[[4-chloro-2-(3-methylpyrazol-1-yl)phenyl]methyl]cyclopropanamine
CID 114854553
N-[[1-(2-bromo-5-chlorophenyl)pyrazol-3-yl]methyl]cyclopropanamine
CID 81272307
N-[[5-fluoro-2-(3-propan-2-ylpyrazol-1-yl)phenyl]methyl]cyclopropanamine
CID 62490188
N-[[6-[3-(trifluoromethyl)pyrazol-1-yl]pyrazin-2-yl]methyl]cyclopropanamine
CID 66449573
5-chloro-2-[3-(trifluoromethyl)pyrazol-1-yl]benzoic acid
CID 55136857
N-[[5-chloro-2-(3,5-diethylpyrazol-1-yl)phenyl]methyl]cyclopropanamine
CID 114854922
N-[[5-fluoro-2-(1,2,4-triazol-1-yl)phenyl]methyl]cyclopropanamine
CID 43314018
N-[[4-[3-(trifluoromethyl)pyrazol-1-yl]phenyl]methyl]oxan-4-amine
CID 154833594
N-[[5-chloro-2-(2,2-dimethylpyrrolidin-1-yl)phenyl]methyl]cyclopropanamine
CID 114851124
1-[5-chloro-2-(3-methylpyrazol-1-yl)phenyl]-N-methylmethanamine
CID 114854548

Frequently Asked Questions

What is the IUPAC name of N-[[5-chloro-2-[3-(trifluoromethyl)pyrazol-1-yl]phenyl]methyl]cyclopropanamine?
The IUPAC name of N-[[5-chloro-2-[3-(trifluoromethyl)pyrazol-1-yl]phenyl]methyl]cyclopropanamine (CID 114854449) is N-[[5-chloro-2-[3-(trifluoromethyl)pyrazol-1-yl]phenyl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[5-chloro-2-[3-(trifluoromethyl)pyrazol-1-yl]phenyl]methyl]cyclopropanamine?
The canonical SMILES for N-[[5-chloro-2-[3-(trifluoromethyl)pyrazol-1-yl]phenyl]methyl]cyclopropanamine is FC(F)(F)c1ccn(-c2ccc(Cl)cc2CNC2CC2)n1.
What is the InChIKey of N-[[5-chloro-2-[3-(trifluoromethyl)pyrazol-1-yl]phenyl]methyl]cyclopropanamine?
The InChIKey is IKGPIUJMHVBEKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13ClF3N3/c15-10-1-4-12(9(7-10)8-19-11-2-3-11)21-6-5-13(20-21)14(16,17)18/h1,4-7,11,19H,2-3,8H2.
What are the key properties of N-[[5-chloro-2-[3-(trifluoromethyl)pyrazol-1-yl]phenyl]methyl]cyclopropanamine?
N-[[5-chloro-2-[3-(trifluoromethyl)pyrazol-1-yl]phenyl]methyl]cyclopropanamine has a molecular weight of 315.73 g/mol, XLogP of 3.80, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-chloro-2-[3-(trifluoromethyl)pyrazol-1-yl]phenyl]methyl]cyclopropanamine is sourced from PubChem (CID 114854449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).