3-(1-methyl-5-phenylpyrazol-3-yl)propan-1-amine

C13H17N3 — CID 105469039

IUPAC3-(1-methyl-5-phenylpyrazol-3-yl)propan-1-amine
SMILESCn1nc(CCCN)cc1-c1ccccc1
InChIInChI=1S/C13H17N3/c1-16-13(11-6-3-2-4-7-11)10-12(15-16)8-5-9-14/h2-4,6-7,10H,5,8-9,14H2,1H3
InChIKeyBIPMXDMLEDMBRV-UHFFFAOYSA-N
MW215.30 g/mol
LogP1.98
Rot. Bonds4

About 3-(1-methyl-5-phenylpyrazol-3-yl)propan-1-amine

3-(1-methyl-5-phenylpyrazol-3-yl)propan-1-amine (PubChem CID 105469039) has the molecular formula C13H17N3 and a molecular weight of 215.30 g/mol. Its IUPAC name is 3-(1-methyl-5-phenylpyrazol-3-yl)propan-1-amine.

Molecular Properties

Compound Name3-(1-methyl-5-phenylpyrazol-3-yl)propan-1-amine
PubChem CID105469039
Molecular FormulaC13H17N3
Molecular Weight215.30 g/mol
Exact Mass215.14
IUPAC Name3-(1-methyl-5-phenylpyrazol-3-yl)propan-1-amine
SMILESCn1nc(CCCN)cc1-c1ccccc1
InChIInChI=1S/C13H17N3/c1-16-13(11-6-3-2-4-7-11)10-12(15-16)8-5-9-14/h2-4,6-7,10H,5,8-9,14H2,1H3
InChIKeyBIPMXDMLEDMBRV-UHFFFAOYSA-N
XLogP1.98
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.30
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[5-(4-methoxyphenyl)-1-methylpyrazol-3-yl]ethanamine
CID 82071880
N-methyl-N-[3-(1-methyl-5-phenylpyrazol-3-yl)propyl]but-2-ynamide
CID 166403316
2-[5-(4-ethoxyphenyl)-1-methylpyrazol-3-yl]ethanamine
CID 82072251
3-(1-methyl-5-propylpyrazol-3-yl)propan-1-amine
CID 105439768
2-[5-(4-fluoro-3-methylphenyl)-1-methylpyrazol-3-yl]ethanamine
CID 82129028
3-hexyl-5-(4-methoxyphenyl)-1-methylpyrazole
CID 135066490
2-[5-(1,3-benzodioxol-5-yl)-1-methylpyrazol-3-yl]ethanamine
CID 82478930
2-[1-benzyl-5-(4-methylphenyl)pyrazol-3-yl]ethanamine
CID 82072030
[5-(4-butan-2-ylphenyl)-1-methylpyrazol-3-yl]methanamine
CID 82478236
2-[5-(2,5-difluorophenyl)-1-methylpyrazol-3-yl]ethanamine
CID 82476618
1-(1-methyl-5-phenylpyrazol-3-yl)cyclopropan-1-amine
CID 105467000
2-[1-methyl-5-(3-methyl-4-propan-2-yloxyphenyl)pyrazol-3-yl]ethanamine
CID 96669271

Frequently Asked Questions

What is the IUPAC name of 3-(1-methyl-5-phenylpyrazol-3-yl)propan-1-amine?
The IUPAC name of 3-(1-methyl-5-phenylpyrazol-3-yl)propan-1-amine (CID 105469039) is 3-(1-methyl-5-phenylpyrazol-3-yl)propan-1-amine.
What is the SMILES notation for 3-(1-methyl-5-phenylpyrazol-3-yl)propan-1-amine?
The canonical SMILES for 3-(1-methyl-5-phenylpyrazol-3-yl)propan-1-amine is Cn1nc(CCCN)cc1-c1ccccc1.
What is the InChIKey of 3-(1-methyl-5-phenylpyrazol-3-yl)propan-1-amine?
The InChIKey is BIPMXDMLEDMBRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3/c1-16-13(11-6-3-2-4-7-11)10-12(15-16)8-5-9-14/h2-4,6-7,10H,5,8-9,14H2,1H3.
What are the key properties of 3-(1-methyl-5-phenylpyrazol-3-yl)propan-1-amine?
3-(1-methyl-5-phenylpyrazol-3-yl)propan-1-amine has a molecular weight of 215.30 g/mol, XLogP of 1.98, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-methyl-5-phenylpyrazol-3-yl)propan-1-amine is sourced from PubChem (CID 105469039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).