[1-[(3,5-dimethylphenyl)methyl]-3,5-diethylpyrazol-4-yl]methanamine

C17H25N3 — CID 82697601

IUPAC[1-[(3,5-dimethylphenyl)methyl]-3,5-diethylpyrazol-4-yl]methanamine
SMILESCCc1nn(Cc2cc(C)cc(C)c2)c(CC)c1CN
InChIInChI=1S/C17H25N3/c1-5-16-15(10-18)17(6-2)20(19-16)11-14-8-12(3)7-13(4)9-14/h7-9H,5-6,10-11,18H2,1-4H3
InChIKeyPXCVOALMHVQPPI-UHFFFAOYSA-N
MW271.41 g/mol
LogP3.13
Rot. Bonds5

About [1-[(3,5-dimethylphenyl)methyl]-3,5-diethylpyrazol-4-yl]methanamine

[1-[(3,5-dimethylphenyl)methyl]-3,5-diethylpyrazol-4-yl]methanamine (PubChem CID 82697601) has the molecular formula C17H25N3 and a molecular weight of 271.41 g/mol. Its IUPAC name is [1-[(3,5-dimethylphenyl)methyl]-3,5-diethylpyrazol-4-yl]methanamine.

Molecular Properties

Compound Name[1-[(3,5-dimethylphenyl)methyl]-3,5-diethylpyrazol-4-yl]methanamine
PubChem CID82697601
Molecular FormulaC17H25N3
Molecular Weight271.41 g/mol
Exact Mass271.20
IUPAC Name[1-[(3,5-dimethylphenyl)methyl]-3,5-diethylpyrazol-4-yl]methanamine
SMILESCCc1nn(Cc2cc(C)cc(C)c2)c(CC)c1CN
InChIInChI=1S/C17H25N3/c1-5-16-15(10-18)17(6-2)20(19-16)11-14-8-12(3)7-13(4)9-14/h7-9H,5-6,10-11,18H2,1-4H3
InChIKeyPXCVOALMHVQPPI-UHFFFAOYSA-N
XLogP3.13
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
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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Frequently Asked Questions

What is the IUPAC name of [1-[(3,5-dimethylphenyl)methyl]-3,5-diethylpyrazol-4-yl]methanamine?
The IUPAC name of [1-[(3,5-dimethylphenyl)methyl]-3,5-diethylpyrazol-4-yl]methanamine (CID 82697601) is [1-[(3,5-dimethylphenyl)methyl]-3,5-diethylpyrazol-4-yl]methanamine.
What is the SMILES notation for [1-[(3,5-dimethylphenyl)methyl]-3,5-diethylpyrazol-4-yl]methanamine?
The canonical SMILES for [1-[(3,5-dimethylphenyl)methyl]-3,5-diethylpyrazol-4-yl]methanamine is CCc1nn(Cc2cc(C)cc(C)c2)c(CC)c1CN.
What is the InChIKey of [1-[(3,5-dimethylphenyl)methyl]-3,5-diethylpyrazol-4-yl]methanamine?
The InChIKey is PXCVOALMHVQPPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3/c1-5-16-15(10-18)17(6-2)20(19-16)11-14-8-12(3)7-13(4)9-14/h7-9H,5-6,10-11,18H2,1-4H3.
What are the key properties of [1-[(3,5-dimethylphenyl)methyl]-3,5-diethylpyrazol-4-yl]methanamine?
[1-[(3,5-dimethylphenyl)methyl]-3,5-diethylpyrazol-4-yl]methanamine has a molecular weight of 271.41 g/mol, XLogP of 3.13, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[(3,5-dimethylphenyl)methyl]-3,5-diethylpyrazol-4-yl]methanamine is sourced from PubChem (CID 82697601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).