[4-(3,5-dimethyl-1-phenylpyrazol-4-yl)phenyl]methanamine

C18H19N3 — CID 61033660

IUPAC[4-(3,5-dimethyl-1-phenylpyrazol-4-yl)phenyl]methanamine
SMILESCc1nn(-c2ccccc2)c(C)c1-c1ccc(CN)cc1
InChIInChI=1S/C18H19N3/c1-13-18(16-10-8-15(12-19)9-11-16)14(2)21(20-13)17-6-4-3-5-7-17/h3-11H,12,19H2,1-2H3
InChIKeyIGPMTGXJTCWLRF-UHFFFAOYSA-N
MW277.37 g/mol
LogP3.61
Rot. Bonds3

About [4-(3,5-dimethyl-1-phenylpyrazol-4-yl)phenyl]methanamine

[4-(3,5-dimethyl-1-phenylpyrazol-4-yl)phenyl]methanamine (PubChem CID 61033660) has the molecular formula C18H19N3 and a molecular weight of 277.37 g/mol. Its IUPAC name is [4-(3,5-dimethyl-1-phenylpyrazol-4-yl)phenyl]methanamine.

Molecular Properties

Compound Name[4-(3,5-dimethyl-1-phenylpyrazol-4-yl)phenyl]methanamine
PubChem CID61033660
Molecular FormulaC18H19N3
Molecular Weight277.37 g/mol
Exact Mass277.16
IUPAC Name[4-(3,5-dimethyl-1-phenylpyrazol-4-yl)phenyl]methanamine
SMILESCc1nn(-c2ccccc2)c(C)c1-c1ccc(CN)cc1
InChIInChI=1S/C18H19N3/c1-13-18(16-10-8-15(12-19)9-11-16)14(2)21(20-13)17-6-4-3-5-7-17/h3-11H,12,19H2,1-2H3
InChIKeyIGPMTGXJTCWLRF-UHFFFAOYSA-N
XLogP3.61
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.37
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [4-(3,5-dimethyl-1-phenylpyrazol-4-yl)phenyl]methanamine?
The IUPAC name of [4-(3,5-dimethyl-1-phenylpyrazol-4-yl)phenyl]methanamine (CID 61033660) is [4-(3,5-dimethyl-1-phenylpyrazol-4-yl)phenyl]methanamine.
What is the SMILES notation for [4-(3,5-dimethyl-1-phenylpyrazol-4-yl)phenyl]methanamine?
The canonical SMILES for [4-(3,5-dimethyl-1-phenylpyrazol-4-yl)phenyl]methanamine is Cc1nn(-c2ccccc2)c(C)c1-c1ccc(CN)cc1.
What is the InChIKey of [4-(3,5-dimethyl-1-phenylpyrazol-4-yl)phenyl]methanamine?
The InChIKey is IGPMTGXJTCWLRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3/c1-13-18(16-10-8-15(12-19)9-11-16)14(2)21(20-13)17-6-4-3-5-7-17/h3-11H,12,19H2,1-2H3.
What are the key properties of [4-(3,5-dimethyl-1-phenylpyrazol-4-yl)phenyl]methanamine?
[4-(3,5-dimethyl-1-phenylpyrazol-4-yl)phenyl]methanamine has a molecular weight of 277.37 g/mol, XLogP of 3.61, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(3,5-dimethyl-1-phenylpyrazol-4-yl)phenyl]methanamine is sourced from PubChem (CID 61033660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).