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

C15H21N3 — CID 62039586

IUPAC3-[5-methyl-1-[(4-methylphenyl)methyl]pyrazol-4-yl]propan-1-amine
SMILESCc1ccc(Cn2ncc(CCCN)c2C)cc1
InChIInChI=1S/C15H21N3/c1-12-5-7-14(8-6-12)11-18-13(2)15(10-17-18)4-3-9-16/h5-8,10H,3-4,9,11,16H2,1-2H3
InChIKeyBEDNXSJUKKKQLT-UHFFFAOYSA-N
MW243.35 g/mol
LogP2.44
Rot. Bonds5

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

3-[5-methyl-1-[(4-methylphenyl)methyl]pyrazol-4-yl]propan-1-amine (PubChem CID 62039586) has the molecular formula C15H21N3 and a molecular weight of 243.35 g/mol. Its IUPAC name is 3-[5-methyl-1-[(4-methylphenyl)methyl]pyrazol-4-yl]propan-1-amine.

Molecular Properties

Compound Name3-[5-methyl-1-[(4-methylphenyl)methyl]pyrazol-4-yl]propan-1-amine
PubChem CID62039586
Molecular FormulaC15H21N3
Molecular Weight243.35 g/mol
Exact Mass243.17
IUPAC Name3-[5-methyl-1-[(4-methylphenyl)methyl]pyrazol-4-yl]propan-1-amine
SMILESCc1ccc(Cn2ncc(CCCN)c2C)cc1
InChIInChI=1S/C15H21N3/c1-12-5-7-14(8-6-12)11-18-13(2)15(10-17-18)4-3-9-16/h5-8,10H,3-4,9,11,16H2,1-2H3
InChIKeyBEDNXSJUKKKQLT-UHFFFAOYSA-N
XLogP2.44
TPSA43.84 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 ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[5-methyl-1-[(4-methylphenyl)methyl]pyrazol-4-yl]propan-1-amine?
The IUPAC name of 3-[5-methyl-1-[(4-methylphenyl)methyl]pyrazol-4-yl]propan-1-amine (CID 62039586) is 3-[5-methyl-1-[(4-methylphenyl)methyl]pyrazol-4-yl]propan-1-amine.
What is the SMILES notation for 3-[5-methyl-1-[(4-methylphenyl)methyl]pyrazol-4-yl]propan-1-amine?
The canonical SMILES for 3-[5-methyl-1-[(4-methylphenyl)methyl]pyrazol-4-yl]propan-1-amine is Cc1ccc(Cn2ncc(CCCN)c2C)cc1.
What is the InChIKey of 3-[5-methyl-1-[(4-methylphenyl)methyl]pyrazol-4-yl]propan-1-amine?
The InChIKey is BEDNXSJUKKKQLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3/c1-12-5-7-14(8-6-12)11-18-13(2)15(10-17-18)4-3-9-16/h5-8,10H,3-4,9,11,16H2,1-2H3.
What are the key properties of 3-[5-methyl-1-[(4-methylphenyl)methyl]pyrazol-4-yl]propan-1-amine?
3-[5-methyl-1-[(4-methylphenyl)methyl]pyrazol-4-yl]propan-1-amine has a molecular weight of 243.35 g/mol, XLogP of 2.44, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-methyl-1-[(4-methylphenyl)methyl]pyrazol-4-yl]propan-1-amine is sourced from PubChem (CID 62039586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).