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

C15H17BrFN3 — CID 79709192

IUPACN-[[1-[(3-bromo-5-fluorophenyl)methyl]-3-methylpyrazol-4-yl]methyl]cyclopropanamine
SMILESCc1nn(Cc2cc(F)cc(Br)c2)cc1CNC1CC1
InChIInChI=1S/C15H17BrFN3/c1-10-12(7-18-15-2-3-15)9-20(19-10)8-11-4-13(16)6-14(17)5-11/h4-6,9,15,18H,2-3,7-8H2,1H3
InChIKeyNEPKYEQTUGYPMC-UHFFFAOYSA-N
MW338.22 g/mol
LogP3.39
Rot. Bonds5

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

N-[[1-[(3-bromo-5-fluorophenyl)methyl]-3-methylpyrazol-4-yl]methyl]cyclopropanamine (PubChem CID 79709192) has the molecular formula C15H17BrFN3 and a molecular weight of 338.22 g/mol. Its IUPAC name is N-[[1-[(3-bromo-5-fluorophenyl)methyl]-3-methylpyrazol-4-yl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[1-[(3-bromo-5-fluorophenyl)methyl]-3-methylpyrazol-4-yl]methyl]cyclopropanamine
PubChem CID79709192
Molecular FormulaC15H17BrFN3
Molecular Weight338.22 g/mol
Exact Mass337.06
IUPAC NameN-[[1-[(3-bromo-5-fluorophenyl)methyl]-3-methylpyrazol-4-yl]methyl]cyclopropanamine
SMILESCc1nn(Cc2cc(F)cc(Br)c2)cc1CNC1CC1
InChIInChI=1S/C15H17BrFN3/c1-10-12(7-18-15-2-3-15)9-20(19-10)8-11-4-13(16)6-14(17)5-11/h4-6,9,15,18H,2-3,7-8H2,1H3
InChIKeyNEPKYEQTUGYPMC-UHFFFAOYSA-N
XLogP3.39
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.22
LogP ≤ 53.39
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-[(4-iodophenyl)methyl]-3-methylpyrazol-4-yl]methyl]cyclopropanamine
CID 65488971
N-[(3-bromo-5-fluorophenyl)methyl]-4-chlorocyclohexan-1-amine
CID 79708463
1-[(3-bromo-5-fluorophenyl)methyl]-4-chloro-3-iodopyrazole
CID 79785072
N-[[1-[(3,5-difluorophenyl)methyl]pyrazol-3-yl]methyl]cyclopropanamine
CID 105409582
N-[[3-methyl-1-(2-propylsulfonylethyl)pyrazol-4-yl]methyl]cyclopropanamine
CID 106732009
1-[(3-bromo-5-fluorophenyl)methyl]-N-(cyclopropylmethyl)piperidin-4-amine;hydrochloride
CID 119926791
1-[(3-bromo-5-fluorophenyl)methyl]-3-methylpyrazole
CID 79702175
N-[[2-[(3-bromo-5-fluorophenyl)methyl]cyclobutyl]methyl]cyclopropanamine
CID 81017852
1-[(3-bromo-5-fluorophenyl)methyl]-4-propan-2-ylazepane
CID 79706574
1-[(3-bromo-5-fluorophenyl)methyl]-3,5-dimethylpiperazine
CID 79701979
1-[(3-bromo-5-fluorophenyl)methyl]-4-(chloromethyl)triazole
CID 79708774

Frequently Asked Questions

What is the IUPAC name of N-[[1-[(3-bromo-5-fluorophenyl)methyl]-3-methylpyrazol-4-yl]methyl]cyclopropanamine?
The IUPAC name of N-[[1-[(3-bromo-5-fluorophenyl)methyl]-3-methylpyrazol-4-yl]methyl]cyclopropanamine (CID 79709192) is N-[[1-[(3-bromo-5-fluorophenyl)methyl]-3-methylpyrazol-4-yl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[1-[(3-bromo-5-fluorophenyl)methyl]-3-methylpyrazol-4-yl]methyl]cyclopropanamine?
The canonical SMILES for N-[[1-[(3-bromo-5-fluorophenyl)methyl]-3-methylpyrazol-4-yl]methyl]cyclopropanamine is Cc1nn(Cc2cc(F)cc(Br)c2)cc1CNC1CC1.
What is the InChIKey of N-[[1-[(3-bromo-5-fluorophenyl)methyl]-3-methylpyrazol-4-yl]methyl]cyclopropanamine?
The InChIKey is NEPKYEQTUGYPMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17BrFN3/c1-10-12(7-18-15-2-3-15)9-20(19-10)8-11-4-13(16)6-14(17)5-11/h4-6,9,15,18H,2-3,7-8H2,1H3.
What are the key properties of N-[[1-[(3-bromo-5-fluorophenyl)methyl]-3-methylpyrazol-4-yl]methyl]cyclopropanamine?
N-[[1-[(3-bromo-5-fluorophenyl)methyl]-3-methylpyrazol-4-yl]methyl]cyclopropanamine has a molecular weight of 338.22 g/mol, XLogP of 3.39, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-[(3-bromo-5-fluorophenyl)methyl]-3-methylpyrazol-4-yl]methyl]cyclopropanamine is sourced from PubChem (CID 79709192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).