N-[(1S)-1-(3-methylphenyl)ethyl]-3-pyrazol-1-ylpropan-1-amine

C15H21N3 — CID 97229657

IUPACN-[(1S)-1-(3-methylphenyl)ethyl]-3-pyrazol-1-ylpropan-1-amine
SMILESCc1cccc([C@H](C)NCCCn2cccn2)c1
InChIInChI=1S/C15H21N3/c1-13-6-3-7-15(12-13)14(2)16-8-4-10-18-11-5-9-17-18/h3,5-7,9,11-12,14,16H,4,8,10H2,1-2H3/t14-/m0/s1
InChIKeyOEURGOBDSYOQES-AWEZNQCLSA-N
MW243.35 g/mol
LogP2.93
Rot. Bonds6

About N-[(1S)-1-(3-methylphenyl)ethyl]-3-pyrazol-1-ylpropan-1-amine

N-[(1S)-1-(3-methylphenyl)ethyl]-3-pyrazol-1-ylpropan-1-amine (PubChem CID 97229657) has the molecular formula C15H21N3 and a molecular weight of 243.35 g/mol. Its IUPAC name is N-[(1S)-1-(3-methylphenyl)ethyl]-3-pyrazol-1-ylpropan-1-amine.

Molecular Properties

Compound NameN-[(1S)-1-(3-methylphenyl)ethyl]-3-pyrazol-1-ylpropan-1-amine
PubChem CID97229657
Molecular FormulaC15H21N3
Molecular Weight243.35 g/mol
Exact Mass243.17
IUPAC NameN-[(1S)-1-(3-methylphenyl)ethyl]-3-pyrazol-1-ylpropan-1-amine
SMILESCc1cccc([C@H](C)NCCCn2cccn2)c1
InChIInChI=1S/C15H21N3/c1-13-6-3-7-15(12-13)14(2)16-8-4-10-18-11-5-9-17-18/h3,5-7,9,11-12,14,16H,4,8,10H2,1-2H3/t14-/m0/s1
InChIKeyOEURGOBDSYOQES-AWEZNQCLSA-N
XLogP2.93
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.35
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[1-(2,5-dimethylphenyl)ethyl]-3-pyrazol-1-ylpropan-1-amine
CID 112700053
N-[1-(4-propan-2-ylphenyl)ethyl]-3-pyrazol-1-ylpropan-1-amine
CID 115708568
3-imidazol-1-yl-N-[1-(3-methylphenyl)ethyl]propan-1-amine
CID 43773811
N-[1-(3-methylphenyl)ethyl]hexan-1-amine
CID 43769677
1-(3-fluorophenyl)-N-(2-pyrazol-1-ylethyl)ethanamine
CID 56828853
3-[1-(2-pyrazol-1-ylethylamino)ethyl]phenol
CID 54951683
N-[1-(2-methoxy-5-methylphenyl)ethyl]-3-pyrazol-1-ylpropan-1-amine
CID 75382566
N-[1-[4-(2-methylpropyl)phenyl]ethyl]-3-pyrazol-1-ylpropan-1-amine
CID 115708566
(1R)-1-(3-methoxyphenyl)-N-(2-pyrazol-1-ylethyl)ethanamine
CID 81373333
N-(1-phenyl-2-pyrazol-1-ylethyl)-3-pyrazol-1-ylpropan-1-amine
CID 131952072
3-ethoxy-N-[(1S)-1-(3-methylphenyl)ethyl]propan-1-amine
CID 81360459
(1R)-1-(3-methylphenyl)-N-[2-(2-methylpyrazol-3-yl)ethyl]ethanamine
CID 103001774

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-(3-methylphenyl)ethyl]-3-pyrazol-1-ylpropan-1-amine?
The IUPAC name of N-[(1S)-1-(3-methylphenyl)ethyl]-3-pyrazol-1-ylpropan-1-amine (CID 97229657) is N-[(1S)-1-(3-methylphenyl)ethyl]-3-pyrazol-1-ylpropan-1-amine.
What is the SMILES notation for N-[(1S)-1-(3-methylphenyl)ethyl]-3-pyrazol-1-ylpropan-1-amine?
The canonical SMILES for N-[(1S)-1-(3-methylphenyl)ethyl]-3-pyrazol-1-ylpropan-1-amine is Cc1cccc([C@H](C)NCCCn2cccn2)c1.
What is the InChIKey of N-[(1S)-1-(3-methylphenyl)ethyl]-3-pyrazol-1-ylpropan-1-amine?
The InChIKey is OEURGOBDSYOQES-AWEZNQCLSA-N. The full InChI is InChI=1S/C15H21N3/c1-13-6-3-7-15(12-13)14(2)16-8-4-10-18-11-5-9-17-18/h3,5-7,9,11-12,14,16H,4,8,10H2,1-2H3/t14-/m0/s1.
What are the key properties of N-[(1S)-1-(3-methylphenyl)ethyl]-3-pyrazol-1-ylpropan-1-amine?
N-[(1S)-1-(3-methylphenyl)ethyl]-3-pyrazol-1-ylpropan-1-amine has a molecular weight of 243.35 g/mol, XLogP of 2.93, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1-(3-methylphenyl)ethyl]-3-pyrazol-1-ylpropan-1-amine is sourced from PubChem (CID 97229657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).