N-methyl-3-[1-methyl-4-(3-methylphenyl)pyrazol-5-yl]propan-1-amine

C15H21N3 — CID 105423631

IUPACN-methyl-3-[1-methyl-4-(3-methylphenyl)pyrazol-5-yl]propan-1-amine
SMILESCNCCCc1c(-c2cccc(C)c2)cnn1C
InChIInChI=1S/C15H21N3/c1-12-6-4-7-13(10-12)14-11-17-18(3)15(14)8-5-9-16-2/h4,6-7,10-11,16H,5,8-9H2,1-3H3
InChIKeyMRHOBZJLSDLEQP-UHFFFAOYSA-N
MW243.35 g/mol
LogP2.55
Rot. Bonds5

About N-methyl-3-[1-methyl-4-(3-methylphenyl)pyrazol-5-yl]propan-1-amine

N-methyl-3-[1-methyl-4-(3-methylphenyl)pyrazol-5-yl]propan-1-amine (PubChem CID 105423631) has the molecular formula C15H21N3 and a molecular weight of 243.35 g/mol. Its IUPAC name is N-methyl-3-[1-methyl-4-(3-methylphenyl)pyrazol-5-yl]propan-1-amine.

Molecular Properties

Compound NameN-methyl-3-[1-methyl-4-(3-methylphenyl)pyrazol-5-yl]propan-1-amine
PubChem CID105423631
Molecular FormulaC15H21N3
Molecular Weight243.35 g/mol
Exact Mass243.17
IUPAC NameN-methyl-3-[1-methyl-4-(3-methylphenyl)pyrazol-5-yl]propan-1-amine
SMILESCNCCCc1c(-c2cccc(C)c2)cnn1C
InChIInChI=1S/C15H21N3/c1-12-6-4-7-13(10-12)14-11-17-18(3)15(14)8-5-9-16-2/h4,6-7,10-11,16H,5,8-9H2,1-3H3
InChIKeyMRHOBZJLSDLEQP-UHFFFAOYSA-N
XLogP2.55
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.35
LogP ≤ 52.55
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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Frequently Asked Questions

What is the IUPAC name of N-methyl-3-[1-methyl-4-(3-methylphenyl)pyrazol-5-yl]propan-1-amine?
The IUPAC name of N-methyl-3-[1-methyl-4-(3-methylphenyl)pyrazol-5-yl]propan-1-amine (CID 105423631) is N-methyl-3-[1-methyl-4-(3-methylphenyl)pyrazol-5-yl]propan-1-amine.
What is the SMILES notation for N-methyl-3-[1-methyl-4-(3-methylphenyl)pyrazol-5-yl]propan-1-amine?
The canonical SMILES for N-methyl-3-[1-methyl-4-(3-methylphenyl)pyrazol-5-yl]propan-1-amine is CNCCCc1c(-c2cccc(C)c2)cnn1C.
What is the InChIKey of N-methyl-3-[1-methyl-4-(3-methylphenyl)pyrazol-5-yl]propan-1-amine?
The InChIKey is MRHOBZJLSDLEQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3/c1-12-6-4-7-13(10-12)14-11-17-18(3)15(14)8-5-9-16-2/h4,6-7,10-11,16H,5,8-9H2,1-3H3.
What are the key properties of N-methyl-3-[1-methyl-4-(3-methylphenyl)pyrazol-5-yl]propan-1-amine?
N-methyl-3-[1-methyl-4-(3-methylphenyl)pyrazol-5-yl]propan-1-amine has a molecular weight of 243.35 g/mol, XLogP of 2.55, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-3-[1-methyl-4-(3-methylphenyl)pyrazol-5-yl]propan-1-amine is sourced from PubChem (CID 105423631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).