2-methyl-N-[2-(1-phenylpyrazol-4-yl)ethyl]propan-1-amine

C15H21N3 — CID 60760084

IUPAC2-methyl-N-[2-(1-phenylpyrazol-4-yl)ethyl]propan-1-amine
SMILESCC(C)CNCCc1cnn(-c2ccccc2)c1
InChIInChI=1S/C15H21N3/c1-13(2)10-16-9-8-14-11-17-18(12-14)15-6-4-3-5-7-15/h3-7,11-13,16H,8-10H2,1-2H3
InChIKeyBRSQRMLCJSENGQ-UHFFFAOYSA-N
MW243.35 g/mol
LogP2.66
Rot. Bonds6

About 2-methyl-N-[2-(1-phenylpyrazol-4-yl)ethyl]propan-1-amine

2-methyl-N-[2-(1-phenylpyrazol-4-yl)ethyl]propan-1-amine (PubChem CID 60760084) has the molecular formula C15H21N3 and a molecular weight of 243.35 g/mol. Its IUPAC name is 2-methyl-N-[2-(1-phenylpyrazol-4-yl)ethyl]propan-1-amine.

Molecular Properties

Compound Name2-methyl-N-[2-(1-phenylpyrazol-4-yl)ethyl]propan-1-amine
PubChem CID60760084
Molecular FormulaC15H21N3
Molecular Weight243.35 g/mol
Exact Mass243.17
IUPAC Name2-methyl-N-[2-(1-phenylpyrazol-4-yl)ethyl]propan-1-amine
SMILESCC(C)CNCCc1cnn(-c2ccccc2)c1
InChIInChI=1S/C15H21N3/c1-13(2)10-16-9-8-14-11-17-18(12-14)15-6-4-3-5-7-15/h3-7,11-13,16H,8-10H2,1-2H3
InChIKeyBRSQRMLCJSENGQ-UHFFFAOYSA-N
XLogP2.66
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 ≤ 52.66
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

2-methyl-3-oxo-3-[2-(1-phenylpyrazol-4-yl)ethylamino]propanoic acid
CID 122065245
4-[4-[3-(2-methylpropylamino)propyl]pyrazol-1-yl]benzonitrile
CID 62719124
1-phenyl-4-propylpyrazole
CID 12902534
2-methyl-N-[3-(1-pyridin-2-ylpyrazol-4-yl)propyl]propan-1-amine
CID 55111261
2-(2-methylpropyl)-1-[2-(1-phenylpyrazol-4-yl)ethyl]guanidine;hydroiodide
CID 111039957
4-methyl-1-[(1-phenylpyrazol-4-yl)methylamino]pentan-2-ol
CID 103631647
2,2-diphenyl-N-[2-(1-phenylpyrazol-4-yl)ethyl]acetamide
CID 16606743
4-[2-[bis(3-methylbutyl)sulfamoylamino]ethyl]-1-phenylpyrazole
CID 55989026
3-amino-N-[2-(1-phenylpyrazol-4-yl)ethyl]butanamide
CID 119700606
2-methyl-1-(4-methylpentyl)-3-[2-(1-phenylpyrazol-4-yl)ethyl]guanidine;hydroiodide
CID 111943708
2-methyl-1-[2-(1-phenylpyrazol-4-yl)ethyl]-3-(2-thiophen-3-ylpropyl)guanidine
CID 111703003
4-(2-chloroethyl)-1-phenylpyrazole
CID 64867718

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[2-(1-phenylpyrazol-4-yl)ethyl]propan-1-amine?
The IUPAC name of 2-methyl-N-[2-(1-phenylpyrazol-4-yl)ethyl]propan-1-amine (CID 60760084) is 2-methyl-N-[2-(1-phenylpyrazol-4-yl)ethyl]propan-1-amine.
What is the SMILES notation for 2-methyl-N-[2-(1-phenylpyrazol-4-yl)ethyl]propan-1-amine?
The canonical SMILES for 2-methyl-N-[2-(1-phenylpyrazol-4-yl)ethyl]propan-1-amine is CC(C)CNCCc1cnn(-c2ccccc2)c1.
What is the InChIKey of 2-methyl-N-[2-(1-phenylpyrazol-4-yl)ethyl]propan-1-amine?
The InChIKey is BRSQRMLCJSENGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3/c1-13(2)10-16-9-8-14-11-17-18(12-14)15-6-4-3-5-7-15/h3-7,11-13,16H,8-10H2,1-2H3.
What are the key properties of 2-methyl-N-[2-(1-phenylpyrazol-4-yl)ethyl]propan-1-amine?
2-methyl-N-[2-(1-phenylpyrazol-4-yl)ethyl]propan-1-amine has a molecular weight of 243.35 g/mol, XLogP of 2.66, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[2-(1-phenylpyrazol-4-yl)ethyl]propan-1-amine is sourced from PubChem (CID 60760084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).