3-[1-[(3-bromophenyl)methyl]pyrazol-4-yl]propan-1-amine

C13H16BrN3 — CID 63276910

IUPAC3-[1-[(3-bromophenyl)methyl]pyrazol-4-yl]propan-1-amine
SMILESNCCCc1cnn(Cc2cccc(Br)c2)c1
InChIInChI=1S/C13H16BrN3/c14-13-5-1-3-11(7-13)9-17-10-12(8-16-17)4-2-6-15/h1,3,5,7-8,10H,2,4,6,9,15H2
InChIKeyDPZCPNLISSMODL-UHFFFAOYSA-N
MW294.20 g/mol
LogP2.59
Rot. Bonds5

About 3-[1-[(3-bromophenyl)methyl]pyrazol-4-yl]propan-1-amine

3-[1-[(3-bromophenyl)methyl]pyrazol-4-yl]propan-1-amine (PubChem CID 63276910) has the molecular formula C13H16BrN3 and a molecular weight of 294.20 g/mol. Its IUPAC name is 3-[1-[(3-bromophenyl)methyl]pyrazol-4-yl]propan-1-amine.

Molecular Properties

Compound Name3-[1-[(3-bromophenyl)methyl]pyrazol-4-yl]propan-1-amine
PubChem CID63276910
Molecular FormulaC13H16BrN3
Molecular Weight294.20 g/mol
Exact Mass293.05
IUPAC Name3-[1-[(3-bromophenyl)methyl]pyrazol-4-yl]propan-1-amine
SMILESNCCCc1cnn(Cc2cccc(Br)c2)c1
InChIInChI=1S/C13H16BrN3/c14-13-5-1-3-11(7-13)9-17-10-12(8-16-17)4-2-6-15/h1,3,5,7-8,10H,2,4,6,9,15H2
InChIKeyDPZCPNLISSMODL-UHFFFAOYSA-N
XLogP2.59
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.20
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[1-[(3-fluorophenyl)methyl]pyrazol-4-yl]propan-1-amine
CID 63279067
3-[1-[(4-bromophenyl)methyl]pyrazol-4-yl]propan-1-amine
CID 55172803
3-[1-[(3-bromophenyl)methyl]pyrazol-4-yl]-N-(2-methoxyethyl)propan-1-amine
CID 63276788
N-[[1-[(3-bromophenyl)methyl]pyrazol-4-yl]methyl]-2-methylpropan-2-amine
CID 62732126
3-[1-[(3-bromophenyl)methyl]pyrazol-4-yl]aniline
CID 63338451
N-[1-[1-[(3-bromophenyl)methyl]pyrazol-4-yl]ethyl]propan-1-amine
CID 62732148
2-[4-(3-aminopropyl)pyrazol-1-yl]acetonitrile
CID 122240562
N'-[(1-benzylpyrazol-4-yl)methyl]propane-1,3-diamine
CID 55025337
4-(1-ethylpyrazol-4-yl)butan-1-amine
CID 64502922
N-[3-[1-[(3-chlorophenyl)methyl]pyrazol-4-yl]propyl]-2-methylpropan-2-amine
CID 63278706
3-[1-[(3-chlorophenyl)methyl]pyrazol-4-yl]-N-propan-2-ylpropan-1-amine
CID 63278667
1-(3-bromophenyl)-N-[(1-ethylpyrazol-4-yl)methyl]-N-methylmethanamine
CID 22194310

Frequently Asked Questions

What is the IUPAC name of 3-[1-[(3-bromophenyl)methyl]pyrazol-4-yl]propan-1-amine?
The IUPAC name of 3-[1-[(3-bromophenyl)methyl]pyrazol-4-yl]propan-1-amine (CID 63276910) is 3-[1-[(3-bromophenyl)methyl]pyrazol-4-yl]propan-1-amine.
What is the SMILES notation for 3-[1-[(3-bromophenyl)methyl]pyrazol-4-yl]propan-1-amine?
The canonical SMILES for 3-[1-[(3-bromophenyl)methyl]pyrazol-4-yl]propan-1-amine is NCCCc1cnn(Cc2cccc(Br)c2)c1.
What is the InChIKey of 3-[1-[(3-bromophenyl)methyl]pyrazol-4-yl]propan-1-amine?
The InChIKey is DPZCPNLISSMODL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16BrN3/c14-13-5-1-3-11(7-13)9-17-10-12(8-16-17)4-2-6-15/h1,3,5,7-8,10H,2,4,6,9,15H2.
What are the key properties of 3-[1-[(3-bromophenyl)methyl]pyrazol-4-yl]propan-1-amine?
3-[1-[(3-bromophenyl)methyl]pyrazol-4-yl]propan-1-amine has a molecular weight of 294.20 g/mol, XLogP of 2.59, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-[(3-bromophenyl)methyl]pyrazol-4-yl]propan-1-amine is sourced from PubChem (CID 63276910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).