[2-[4-[(3,5-dimethylpyrazol-1-yl)methyl]phenyl]phenyl]methanamine

C19H21N3 — CID 16792269

IUPAC[2-[4-[(3,5-dimethylpyrazol-1-yl)methyl]phenyl]phenyl]methanamine
SMILESCc1cc(C)n(Cc2ccc(-c3ccccc3CN)cc2)n1
InChIInChI=1S/C19H21N3/c1-14-11-15(2)22(21-14)13-16-7-9-17(10-8-16)19-6-4-3-5-18(19)12-20/h3-11H,12-13,20H2,1-2H3
InChIKeyRFVHYMXCBASOTN-UHFFFAOYSA-N
MW291.40 g/mol
LogP3.67
Rot. Bonds4

About [2-[4-[(3,5-dimethylpyrazol-1-yl)methyl]phenyl]phenyl]methanamine

[2-[4-[(3,5-dimethylpyrazol-1-yl)methyl]phenyl]phenyl]methanamine (PubChem CID 16792269) has the molecular formula C19H21N3 and a molecular weight of 291.40 g/mol. Its IUPAC name is [2-[4-[(3,5-dimethylpyrazol-1-yl)methyl]phenyl]phenyl]methanamine.

Molecular Properties

Compound Name[2-[4-[(3,5-dimethylpyrazol-1-yl)methyl]phenyl]phenyl]methanamine
PubChem CID16792269
Molecular FormulaC19H21N3
Molecular Weight291.40 g/mol
Exact Mass291.17
IUPAC Name[2-[4-[(3,5-dimethylpyrazol-1-yl)methyl]phenyl]phenyl]methanamine
SMILESCc1cc(C)n(Cc2ccc(-c3ccccc3CN)cc2)n1
InChIInChI=1S/C19H21N3/c1-14-11-15(2)22(21-14)13-16-7-9-17(10-8-16)19-6-4-3-5-18(19)12-20/h3-11H,12-13,20H2,1-2H3
InChIKeyRFVHYMXCBASOTN-UHFFFAOYSA-N
XLogP3.67
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.40
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [2-[4-[(3,5-dimethylpyrazol-1-yl)methyl]phenyl]phenyl]methanamine?
The IUPAC name of [2-[4-[(3,5-dimethylpyrazol-1-yl)methyl]phenyl]phenyl]methanamine (CID 16792269) is [2-[4-[(3,5-dimethylpyrazol-1-yl)methyl]phenyl]phenyl]methanamine.
What is the SMILES notation for [2-[4-[(3,5-dimethylpyrazol-1-yl)methyl]phenyl]phenyl]methanamine?
The canonical SMILES for [2-[4-[(3,5-dimethylpyrazol-1-yl)methyl]phenyl]phenyl]methanamine is Cc1cc(C)n(Cc2ccc(-c3ccccc3CN)cc2)n1.
What is the InChIKey of [2-[4-[(3,5-dimethylpyrazol-1-yl)methyl]phenyl]phenyl]methanamine?
The InChIKey is RFVHYMXCBASOTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3/c1-14-11-15(2)22(21-14)13-16-7-9-17(10-8-16)19-6-4-3-5-18(19)12-20/h3-11H,12-13,20H2,1-2H3.
What are the key properties of [2-[4-[(3,5-dimethylpyrazol-1-yl)methyl]phenyl]phenyl]methanamine?
[2-[4-[(3,5-dimethylpyrazol-1-yl)methyl]phenyl]phenyl]methanamine has a molecular weight of 291.40 g/mol, XLogP of 3.67, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[4-[(3,5-dimethylpyrazol-1-yl)methyl]phenyl]phenyl]methanamine is sourced from PubChem (CID 16792269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).