1-(2-methylpyrazol-3-yl)-3-phenylpropan-2-amine

C13H17N3 — CID 114553831

IUPAC1-(2-methylpyrazol-3-yl)-3-phenylpropan-2-amine
SMILESCn1nccc1CC(N)Cc1ccccc1
InChIInChI=1S/C13H17N3/c1-16-13(7-8-15-16)10-12(14)9-11-5-3-2-4-6-11/h2-8,12H,9-10,14H2,1H3
InChIKeyOOSUBTUMISUCSQ-UHFFFAOYSA-N
MW215.30 g/mol
LogP1.53
Rot. Bonds4

About 1-(2-methylpyrazol-3-yl)-3-phenylpropan-2-amine

1-(2-methylpyrazol-3-yl)-3-phenylpropan-2-amine (PubChem CID 114553831) has the molecular formula C13H17N3 and a molecular weight of 215.30 g/mol. Its IUPAC name is 1-(2-methylpyrazol-3-yl)-3-phenylpropan-2-amine.

Molecular Properties

Compound Name1-(2-methylpyrazol-3-yl)-3-phenylpropan-2-amine
PubChem CID114553831
Molecular FormulaC13H17N3
Molecular Weight215.30 g/mol
Exact Mass215.14
IUPAC Name1-(2-methylpyrazol-3-yl)-3-phenylpropan-2-amine
SMILESCn1nccc1CC(N)Cc1ccccc1
InChIInChI=1S/C13H17N3/c1-16-13(7-8-15-16)10-12(14)9-11-5-3-2-4-6-11/h2-8,12H,9-10,14H2,1H3
InChIKeyOOSUBTUMISUCSQ-UHFFFAOYSA-N
XLogP1.53
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 ≤ 51.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(2-methylpyrazol-3-yl)methyl]-1-phenylpropan-2-amine
CID 63011246
2-amino-N-[(2-methylpyrazol-3-yl)methyl]-3-phenylpropanamide;hydrochloride
CID 119291636
2-amino-N-[2-(2-methylpyrazol-3-yl)ethyl]-3-phenylpropanamide
CID 103006482
1-(4-chlorophenyl)-4-(2-methylpyrazol-3-yl)butan-2-amine
CID 103008961
4-(2-methylpyrazol-3-yl)-1-pyridin-3-ylbutan-2-amine
CID 103009787
(2-methylpyrazol-3-yl)methyl-triphenylphosphanium
CID 86032057
1-(5-chloro-1,3-dimethylpyrazol-4-yl)-3-phenylpropan-2-amine
CID 113470210
1-(3,4-difluorophenyl)-4-(2-methylpyrazol-3-yl)butan-2-amine
CID 103030412
1-(3-methylphenyl)-5-(2-methylpyrazol-3-yl)pentan-3-amine
CID 103030755
4-methyl-1-(2-methylpyrazol-3-yl)-4-phenylpentan-3-amine
CID 103010021
1-(2-methylpyrazol-3-yl)pentan-3-amine
CID 64505334
3-(2-methylpyrazol-3-yl)-2-phenyl-N-propan-2-ylpropan-1-amine
CID 81024676

Frequently Asked Questions

What is the IUPAC name of 1-(2-methylpyrazol-3-yl)-3-phenylpropan-2-amine?
The IUPAC name of 1-(2-methylpyrazol-3-yl)-3-phenylpropan-2-amine (CID 114553831) is 1-(2-methylpyrazol-3-yl)-3-phenylpropan-2-amine.
What is the SMILES notation for 1-(2-methylpyrazol-3-yl)-3-phenylpropan-2-amine?
The canonical SMILES for 1-(2-methylpyrazol-3-yl)-3-phenylpropan-2-amine is Cn1nccc1CC(N)Cc1ccccc1.
What is the InChIKey of 1-(2-methylpyrazol-3-yl)-3-phenylpropan-2-amine?
The InChIKey is OOSUBTUMISUCSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3/c1-16-13(7-8-15-16)10-12(14)9-11-5-3-2-4-6-11/h2-8,12H,9-10,14H2,1H3.
What are the key properties of 1-(2-methylpyrazol-3-yl)-3-phenylpropan-2-amine?
1-(2-methylpyrazol-3-yl)-3-phenylpropan-2-amine has a molecular weight of 215.30 g/mol, XLogP of 1.53, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methylpyrazol-3-yl)-3-phenylpropan-2-amine is sourced from PubChem (CID 114553831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).