N-[(4-bromophenyl)methyl]-1-(2-fluoroethyl)pyrazol-4-amine

C12H13BrFN3 — CID 154866077

IUPACN-[(4-bromophenyl)methyl]-1-(2-fluoroethyl)pyrazol-4-amine
SMILESFCCn1cc(NCc2ccc(Br)cc2)cn1
InChIInChI=1S/C12H13BrFN3/c13-11-3-1-10(2-4-11)7-15-12-8-16-17(9-12)6-5-14/h1-4,8-9,15H,5-7H2
InChIKeyRIRKZDOPZWOJRO-UHFFFAOYSA-N
MW298.16 g/mol
LogP3.23
Rot. Bonds5

About N-[(4-bromophenyl)methyl]-1-(2-fluoroethyl)pyrazol-4-amine

N-[(4-bromophenyl)methyl]-1-(2-fluoroethyl)pyrazol-4-amine (PubChem CID 154866077) has the molecular formula C12H13BrFN3 and a molecular weight of 298.16 g/mol. Its IUPAC name is N-[(4-bromophenyl)methyl]-1-(2-fluoroethyl)pyrazol-4-amine.

Molecular Properties

Compound NameN-[(4-bromophenyl)methyl]-1-(2-fluoroethyl)pyrazol-4-amine
PubChem CID154866077
Molecular FormulaC12H13BrFN3
Molecular Weight298.16 g/mol
Exact Mass297.03
IUPAC NameN-[(4-bromophenyl)methyl]-1-(2-fluoroethyl)pyrazol-4-amine
SMILESFCCn1cc(NCc2ccc(Br)cc2)cn1
InChIInChI=1S/C12H13BrFN3/c13-11-3-1-10(2-4-11)7-15-12-8-16-17(9-12)6-5-14/h1-4,8-9,15H,5-7H2
InChIKeyRIRKZDOPZWOJRO-UHFFFAOYSA-N
XLogP3.23
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.16
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-fluoroethyl)-N-[(1-methylpyrazol-4-yl)methyl]pyrazol-4-amine;hydrochloride
CID 126967961
1-(2-fluoroethyl)-N-[(5-fluorothiophen-2-yl)methyl]pyrazol-4-amine
CID 122169295
1-(2-fluoroethyl)-N-[(5-fluorothiophen-2-yl)methyl]pyrazol-4-amine;hydrochloride
CID 126965016
2-[4-[(4-bromo-2-fluorophenyl)methylamino]pyrazol-1-yl]ethanol
CID 110928870
4-[[(1-ethylpyrazol-4-yl)amino]methyl]phenol
CID 19627559
4-bromo-N-[(1-ethylpyrazol-4-yl)methyl]aniline
CID 62125641
2-[4-[(4-methoxyphenyl)methylamino]pyrazol-1-yl]ethanol;hydrochloride
CID 126965409
N-[(1-ethyl-4-methylpyrazol-5-yl)methyl]-1-(2-fluoroethyl)pyrazol-4-amine;hydrochloride
CID 126964764
1-benzyl-N-[(4-fluorophenyl)methyl]pyrazol-4-amine
CID 60930766
1-propyl-N-[(1-propylpyrazol-4-yl)methyl]pyrazol-4-amine;hydrochloride
CID 126965152
N-benzyl-1-(2,2,2-trifluoroethyl)pyrazol-4-amine
CID 150074108
1-(2-fluoroethyl)-N-[(5-methyl-1-propan-2-ylpyrazol-4-yl)methyl]pyrazol-4-amine;hydrochloride
CID 126964190

Frequently Asked Questions

What is the IUPAC name of N-[(4-bromophenyl)methyl]-1-(2-fluoroethyl)pyrazol-4-amine?
The IUPAC name of N-[(4-bromophenyl)methyl]-1-(2-fluoroethyl)pyrazol-4-amine (CID 154866077) is N-[(4-bromophenyl)methyl]-1-(2-fluoroethyl)pyrazol-4-amine.
What is the SMILES notation for N-[(4-bromophenyl)methyl]-1-(2-fluoroethyl)pyrazol-4-amine?
The canonical SMILES for N-[(4-bromophenyl)methyl]-1-(2-fluoroethyl)pyrazol-4-amine is FCCn1cc(NCc2ccc(Br)cc2)cn1.
What is the InChIKey of N-[(4-bromophenyl)methyl]-1-(2-fluoroethyl)pyrazol-4-amine?
The InChIKey is RIRKZDOPZWOJRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13BrFN3/c13-11-3-1-10(2-4-11)7-15-12-8-16-17(9-12)6-5-14/h1-4,8-9,15H,5-7H2.
What are the key properties of N-[(4-bromophenyl)methyl]-1-(2-fluoroethyl)pyrazol-4-amine?
N-[(4-bromophenyl)methyl]-1-(2-fluoroethyl)pyrazol-4-amine has a molecular weight of 298.16 g/mol, XLogP of 3.23, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-bromophenyl)methyl]-1-(2-fluoroethyl)pyrazol-4-amine is sourced from PubChem (CID 154866077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).