N-[[1-[(3-chloro-4-fluorophenyl)methyl]-5-methylpyrazol-4-yl]methyl]cyclopropanamine

C15H17ClFN3 — CID 103041561

IUPACN-[[1-[(3-chloro-4-fluorophenyl)methyl]-5-methylpyrazol-4-yl]methyl]cyclopropanamine
SMILESCc1c(CNC2CC2)cnn1Cc1ccc(F)c(Cl)c1
InChIInChI=1S/C15H17ClFN3/c1-10-12(7-18-13-3-4-13)8-19-20(10)9-11-2-5-15(17)14(16)6-11/h2,5-6,8,13,18H,3-4,7,9H2,1H3
InChIKeySOSDCLJYWCKURS-UHFFFAOYSA-N
MW293.77 g/mol
LogP3.28
Rot. Bonds5

About N-[[1-[(3-chloro-4-fluorophenyl)methyl]-5-methylpyrazol-4-yl]methyl]cyclopropanamine

N-[[1-[(3-chloro-4-fluorophenyl)methyl]-5-methylpyrazol-4-yl]methyl]cyclopropanamine (PubChem CID 103041561) 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]-5-methylpyrazol-4-yl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[1-[(3-chloro-4-fluorophenyl)methyl]-5-methylpyrazol-4-yl]methyl]cyclopropanamine
PubChem CID103041561
Molecular FormulaC15H17ClFN3
Molecular Weight293.77 g/mol
Exact Mass293.11
IUPAC NameN-[[1-[(3-chloro-4-fluorophenyl)methyl]-5-methylpyrazol-4-yl]methyl]cyclopropanamine
SMILESCc1c(CNC2CC2)cnn1Cc1ccc(F)c(Cl)c1
InChIInChI=1S/C15H17ClFN3/c1-10-12(7-18-13-3-4-13)8-19-20(10)9-11-2-5-15(17)14(16)6-11/h2,5-6,8,13,18H,3-4,7,9H2,1H3
InChIKeySOSDCLJYWCKURS-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

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Related Compounds

N-[[1-[(3-chloro-4-fluorophenyl)methyl]-3-methylpyrazol-4-yl]methyl]cyclopropanamine
CID 103041569
N-[[1-[(3-chloro-4-fluorophenyl)methyl]tetrazol-5-yl]methyl]cyclopropanamine
CID 62735977
N-[[1-[(4-chloro-3-fluorophenyl)methyl]-5-methylpyrazol-4-yl]methyl]propan-2-amine
CID 107888009
2-[(3-chloro-4-fluorophenyl)methyl]-5-(cyclopropylamino)pyridazin-3-one
CID 103219913
N-[[1-[(4-fluorophenyl)methyl]-5-propan-2-ylpyrazol-4-yl]methyl]cyclopropanamine
CID 66439775
4-tert-butyl-N-[(3-chloro-4-fluorophenyl)methyl]cyclohexan-1-amine
CID 63476637
1-(3-chloro-4-fluorophenyl)-N-[(1,5-dimethylpyrazol-4-yl)methyl]methanamine
CID 79578574
N-[[5-cyclopropyl-1-[(4-methylphenyl)methyl]pyrazol-4-yl]methyl]cyclopropanamine
CID 66441513
N-methyl-1-[5-methyl-1-[(4-methylphenyl)methyl]pyrazol-4-yl]methanamine
CID 54982266
N-[[1-(3,4-dichlorophenyl)-5-methylpyrazol-4-yl]methyl]cyclopropanamine
CID 54982355
N-[2-(3-chloro-4-fluorophenyl)ethyl]cyclopropanamine
CID 80503769
[1-[(4-chlorophenyl)methyl]-5-methylpyrazol-4-yl]methanamine
CID 63278852

Frequently Asked Questions

What is the IUPAC name of N-[[1-[(3-chloro-4-fluorophenyl)methyl]-5-methylpyrazol-4-yl]methyl]cyclopropanamine?
The IUPAC name of N-[[1-[(3-chloro-4-fluorophenyl)methyl]-5-methylpyrazol-4-yl]methyl]cyclopropanamine (CID 103041561) is N-[[1-[(3-chloro-4-fluorophenyl)methyl]-5-methylpyrazol-4-yl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[1-[(3-chloro-4-fluorophenyl)methyl]-5-methylpyrazol-4-yl]methyl]cyclopropanamine?
The canonical SMILES for N-[[1-[(3-chloro-4-fluorophenyl)methyl]-5-methylpyrazol-4-yl]methyl]cyclopropanamine is Cc1c(CNC2CC2)cnn1Cc1ccc(F)c(Cl)c1.
What is the InChIKey of N-[[1-[(3-chloro-4-fluorophenyl)methyl]-5-methylpyrazol-4-yl]methyl]cyclopropanamine?
The InChIKey is SOSDCLJYWCKURS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17ClFN3/c1-10-12(7-18-13-3-4-13)8-19-20(10)9-11-2-5-15(17)14(16)6-11/h2,5-6,8,13,18H,3-4,7,9H2,1H3.
What are the key properties of N-[[1-[(3-chloro-4-fluorophenyl)methyl]-5-methylpyrazol-4-yl]methyl]cyclopropanamine?
N-[[1-[(3-chloro-4-fluorophenyl)methyl]-5-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]-5-methylpyrazol-4-yl]methyl]cyclopropanamine is sourced from PubChem (CID 103041561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).