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

C15H20BrN3 — CID 55109411

IUPAC1-[1-[(2-bromophenyl)methyl]pyrazol-4-yl]-N-ethylpropan-1-amine
SMILESCCNC(CC)c1cnn(Cc2ccccc2Br)c1
InChIInChI=1S/C15H20BrN3/c1-3-15(17-4-2)13-9-18-19(11-13)10-12-7-5-6-8-14(12)16/h5-9,11,15,17H,3-4,10H2,1-2H3
InChIKeyDSHKSQBDOGKGGZ-UHFFFAOYSA-N
MW322.25 g/mol
LogP3.75
Rot. Bonds6

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

1-[1-[(2-bromophenyl)methyl]pyrazol-4-yl]-N-ethylpropan-1-amine (PubChem CID 55109411) has the molecular formula C15H20BrN3 and a molecular weight of 322.25 g/mol. Its IUPAC name is 1-[1-[(2-bromophenyl)methyl]pyrazol-4-yl]-N-ethylpropan-1-amine.

Molecular Properties

Compound Name1-[1-[(2-bromophenyl)methyl]pyrazol-4-yl]-N-ethylpropan-1-amine
PubChem CID55109411
Molecular FormulaC15H20BrN3
Molecular Weight322.25 g/mol
Exact Mass321.08
IUPAC Name1-[1-[(2-bromophenyl)methyl]pyrazol-4-yl]-N-ethylpropan-1-amine
SMILESCCNC(CC)c1cnn(Cc2ccccc2Br)c1
InChIInChI=1S/C15H20BrN3/c1-3-15(17-4-2)13-9-18-19(11-13)10-12-7-5-6-8-14(12)16/h5-9,11,15,17H,3-4,10H2,1-2H3
InChIKeyDSHKSQBDOGKGGZ-UHFFFAOYSA-N
XLogP3.75
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.25
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[1-[(2-bromo-5-methoxyphenyl)methyl]pyrazol-4-yl]-N-ethylpropan-1-amine
CID 65326734
1-[1-[(2-bromophenyl)methyl]pyrazol-4-yl]propan-1-amine
CID 55110447
1-[1-[(2,4-difluorophenyl)methyl]pyrazol-4-yl]-N-ethylpropan-1-amine
CID 62731796
1-[1-[(2,5-difluorophenyl)methyl]pyrazol-4-yl]-N-ethylpropan-1-amine
CID 62729800
N-[[1-[(2-bromophenyl)methyl]pyrazol-4-yl]methyl]ethanamine
CID 62731931
N-ethyl-1-[1-[(3-methylphenyl)methyl]pyrazol-4-yl]propan-1-amine
CID 62730349
1-[1-(2-ethoxyethyl)pyrazol-4-yl]-N-ethylpropan-1-amine
CID 62731441
1-[1-[(2-chloro-6-fluorophenyl)methyl]pyrazol-4-yl]-N-ethylpropan-1-amine
CID 62729801
1-[1-(2,2-difluoroethyl)pyrazol-4-yl]-N-ethylpropan-1-amine
CID 62731794
1-[1-[(2-bromophenyl)methyl]pyrazol-4-yl]-N-methylmethanamine
CID 62730652
N-ethyl-1-[1-[(2-fluorophenyl)methyl]pyrazol-4-yl]ethanamine
CID 62730873
1-[1-[(2-bromophenyl)methyl]pyrrol-3-yl]-N-ethylbutan-1-amine
CID 79109118

Frequently Asked Questions

What is the IUPAC name of 1-[1-[(2-bromophenyl)methyl]pyrazol-4-yl]-N-ethylpropan-1-amine?
The IUPAC name of 1-[1-[(2-bromophenyl)methyl]pyrazol-4-yl]-N-ethylpropan-1-amine (CID 55109411) is 1-[1-[(2-bromophenyl)methyl]pyrazol-4-yl]-N-ethylpropan-1-amine.
What is the SMILES notation for 1-[1-[(2-bromophenyl)methyl]pyrazol-4-yl]-N-ethylpropan-1-amine?
The canonical SMILES for 1-[1-[(2-bromophenyl)methyl]pyrazol-4-yl]-N-ethylpropan-1-amine is CCNC(CC)c1cnn(Cc2ccccc2Br)c1.
What is the InChIKey of 1-[1-[(2-bromophenyl)methyl]pyrazol-4-yl]-N-ethylpropan-1-amine?
The InChIKey is DSHKSQBDOGKGGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20BrN3/c1-3-15(17-4-2)13-9-18-19(11-13)10-12-7-5-6-8-14(12)16/h5-9,11,15,17H,3-4,10H2,1-2H3.
What are the key properties of 1-[1-[(2-bromophenyl)methyl]pyrazol-4-yl]-N-ethylpropan-1-amine?
1-[1-[(2-bromophenyl)methyl]pyrazol-4-yl]-N-ethylpropan-1-amine has a molecular weight of 322.25 g/mol, XLogP of 3.75, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[(2-bromophenyl)methyl]pyrazol-4-yl]-N-ethylpropan-1-amine is sourced from PubChem (CID 55109411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).