1-[4-(2-bromophenyl)-1H-pyrazol-5-yl]propan-2-amine

C12H14BrN3 — CID 105423941

IUPAC1-[4-(2-bromophenyl)-1H-pyrazol-5-yl]propan-2-amine
SMILESCC(N)Cc1[nH]ncc1-c1ccccc1Br
InChIInChI=1S/C12H14BrN3/c1-8(14)6-12-10(7-15-16-12)9-4-2-3-5-11(9)13/h2-5,7-8H,6,14H2,1H3,(H,15,16)
InChIKeyGEGLGMHCHVDCEW-UHFFFAOYSA-N
MW280.17 g/mol
LogP2.73
Rot. Bonds3

About 1-[4-(2-bromophenyl)-1H-pyrazol-5-yl]propan-2-amine

1-[4-(2-bromophenyl)-1H-pyrazol-5-yl]propan-2-amine (PubChem CID 105423941) has the molecular formula C12H14BrN3 and a molecular weight of 280.17 g/mol. Its IUPAC name is 1-[4-(2-bromophenyl)-1H-pyrazol-5-yl]propan-2-amine.

Molecular Properties

Compound Name1-[4-(2-bromophenyl)-1H-pyrazol-5-yl]propan-2-amine
PubChem CID105423941
Molecular FormulaC12H14BrN3
Molecular Weight280.17 g/mol
Exact Mass279.04
IUPAC Name1-[4-(2-bromophenyl)-1H-pyrazol-5-yl]propan-2-amine
SMILESCC(N)Cc1[nH]ncc1-c1ccccc1Br
InChIInChI=1S/C12H14BrN3/c1-8(14)6-12-10(7-15-16-12)9-4-2-3-5-11(9)13/h2-5,7-8H,6,14H2,1H3,(H,15,16)
InChIKeyGEGLGMHCHVDCEW-UHFFFAOYSA-N
XLogP2.73
TPSA54.70 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.17
LogP ≤ 52.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-[5-(2-aminopropyl)-1H-pyrazol-4-yl]phenol
CID 105423241
1-(4-chloro-1H-pyrazol-5-yl)propan-2-amine;hydrochloride
CID 170893702
1-[4-(2-bromophenyl)-1-methylpyrazol-3-yl]propan-2-amine
CID 105424010
2-methyl-3-[4-(2-methylphenyl)-1H-pyrazol-5-yl]propanoic acid
CID 105423639
[4-(2-methylphenyl)-1H-pyrazol-5-yl]methanol
CID 105422819
1-[5-(2-bromophenyl)furan-2-yl]propan-2-amine
CID 63084768
1-[2-[(2-bromophenyl)methyl]pyrimidin-5-yl]propan-2-amine
CID 62828650
3-[4-(3-bromophenyl)-1H-pyrazol-5-yl]-2-methylpropanoic acid
CID 105424053
4-(4-methyl-1H-pyrazol-5-yl)butan-2-amine
CID 82416782
4-bromo-5-[(2R)-2-methoxy-2-phenylethyl]-1H-pyrazole
CID 155213840
1-(3-bromo-2-pyridinyl)propan-2-amine;hydrochloride
CID 170894346
2-[5-(2-bromophenyl)-1H-imidazol-2-yl]ethanamine
CID 43650934

Frequently Asked Questions

What is the IUPAC name of 1-[4-(2-bromophenyl)-1H-pyrazol-5-yl]propan-2-amine?
The IUPAC name of 1-[4-(2-bromophenyl)-1H-pyrazol-5-yl]propan-2-amine (CID 105423941) is 1-[4-(2-bromophenyl)-1H-pyrazol-5-yl]propan-2-amine.
What is the SMILES notation for 1-[4-(2-bromophenyl)-1H-pyrazol-5-yl]propan-2-amine?
The canonical SMILES for 1-[4-(2-bromophenyl)-1H-pyrazol-5-yl]propan-2-amine is CC(N)Cc1[nH]ncc1-c1ccccc1Br.
What is the InChIKey of 1-[4-(2-bromophenyl)-1H-pyrazol-5-yl]propan-2-amine?
The InChIKey is GEGLGMHCHVDCEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14BrN3/c1-8(14)6-12-10(7-15-16-12)9-4-2-3-5-11(9)13/h2-5,7-8H,6,14H2,1H3,(H,15,16).
What are the key properties of 1-[4-(2-bromophenyl)-1H-pyrazol-5-yl]propan-2-amine?
1-[4-(2-bromophenyl)-1H-pyrazol-5-yl]propan-2-amine has a molecular weight of 280.17 g/mol, XLogP of 2.73, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(2-bromophenyl)-1H-pyrazol-5-yl]propan-2-amine is sourced from PubChem (CID 105423941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).