2-[(3-methylphenyl)methyl]-3-(1-propan-2-ylpyrazol-3-yl)propan-1-amine

C17H25N3 — CID 64773193

IUPAC2-[(3-methylphenyl)methyl]-3-(1-propan-2-ylpyrazol-3-yl)propan-1-amine
SMILESCc1cccc(CC(CN)Cc2ccn(C(C)C)n2)c1
InChIInChI=1S/C17H25N3/c1-13(2)20-8-7-17(19-20)11-16(12-18)10-15-6-4-5-14(3)9-15/h4-9,13,16H,10-12,18H2,1-3H3
InChIKeyCPPOBHTXEMTWGS-UHFFFAOYSA-N
MW271.41 g/mol
LogP3.13
Rot. Bonds6

About 2-[(3-methylphenyl)methyl]-3-(1-propan-2-ylpyrazol-3-yl)propan-1-amine

2-[(3-methylphenyl)methyl]-3-(1-propan-2-ylpyrazol-3-yl)propan-1-amine (PubChem CID 64773193) has the molecular formula C17H25N3 and a molecular weight of 271.41 g/mol. Its IUPAC name is 2-[(3-methylphenyl)methyl]-3-(1-propan-2-ylpyrazol-3-yl)propan-1-amine.

Molecular Properties

Compound Name2-[(3-methylphenyl)methyl]-3-(1-propan-2-ylpyrazol-3-yl)propan-1-amine
PubChem CID64773193
Molecular FormulaC17H25N3
Molecular Weight271.41 g/mol
Exact Mass271.20
IUPAC Name2-[(3-methylphenyl)methyl]-3-(1-propan-2-ylpyrazol-3-yl)propan-1-amine
SMILESCc1cccc(CC(CN)Cc2ccn(C(C)C)n2)c1
InChIInChI=1S/C17H25N3/c1-13(2)20-8-7-17(19-20)11-16(12-18)10-15-6-4-5-14(3)9-15/h4-9,13,16H,10-12,18H2,1-3H3
InChIKeyCPPOBHTXEMTWGS-UHFFFAOYSA-N
XLogP3.13
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.41
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(1-butan-2-ylpyrazol-3-yl)methyl]-3-(3-fluorophenyl)propan-1-amine
CID 64779066
2-[(2-bromophenyl)methyl]-3-(1-propan-2-ylpyrazol-3-yl)propan-1-amine
CID 64773195
2-[(5-bromo-2-pyridinyl)methyl]-3-(3-methylphenyl)propan-1-amine
CID 104810370
2-[(3-fluorophenyl)methyl]-3-(3-methylphenyl)propan-1-amine
CID 62529987
2-[(4-chlorophenyl)methyl]-3-(3-methylphenyl)propan-1-amine
CID 62530370
2-benzyl-3-(1-methylpyrazol-3-yl)propan-1-amine
CID 82877755
2,3-dimethyl-4-(1-propan-2-ylpyrazol-3-yl)butan-1-amine
CID 81009886
(2R)-2-methyl-3-(3-methylphenyl)propan-1-amine
CID 42325732
4-methoxy-2-[(3-methylphenyl)methyl]butan-1-amine
CID 62529986
2-[(1-propan-2-ylpyrazol-3-yl)methyl]propane-1,3-diol
CID 79449988
2-phenyl-3-(1-propan-2-ylpyrazol-3-yl)propan-1-amine
CID 65431517
1-(2,5-dimethylphenyl)-2-(1-propan-2-ylpyrazol-3-yl)ethanamine
CID 104990024

Frequently Asked Questions

What is the IUPAC name of 2-[(3-methylphenyl)methyl]-3-(1-propan-2-ylpyrazol-3-yl)propan-1-amine?
The IUPAC name of 2-[(3-methylphenyl)methyl]-3-(1-propan-2-ylpyrazol-3-yl)propan-1-amine (CID 64773193) is 2-[(3-methylphenyl)methyl]-3-(1-propan-2-ylpyrazol-3-yl)propan-1-amine.
What is the SMILES notation for 2-[(3-methylphenyl)methyl]-3-(1-propan-2-ylpyrazol-3-yl)propan-1-amine?
The canonical SMILES for 2-[(3-methylphenyl)methyl]-3-(1-propan-2-ylpyrazol-3-yl)propan-1-amine is Cc1cccc(CC(CN)Cc2ccn(C(C)C)n2)c1.
What is the InChIKey of 2-[(3-methylphenyl)methyl]-3-(1-propan-2-ylpyrazol-3-yl)propan-1-amine?
The InChIKey is CPPOBHTXEMTWGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3/c1-13(2)20-8-7-17(19-20)11-16(12-18)10-15-6-4-5-14(3)9-15/h4-9,13,16H,10-12,18H2,1-3H3.
What are the key properties of 2-[(3-methylphenyl)methyl]-3-(1-propan-2-ylpyrazol-3-yl)propan-1-amine?
2-[(3-methylphenyl)methyl]-3-(1-propan-2-ylpyrazol-3-yl)propan-1-amine has a molecular weight of 271.41 g/mol, XLogP of 3.13, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-methylphenyl)methyl]-3-(1-propan-2-ylpyrazol-3-yl)propan-1-amine is sourced from PubChem (CID 64773193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).