(1,3-dimethylpyrazol-4-yl)-(4-phenylphenyl)methanamine

C18H19N3 — CID 102803820

IUPAC(1,3-dimethylpyrazol-4-yl)-(4-phenylphenyl)methanamine
SMILESCc1nn(C)cc1C(N)c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C18H19N3/c1-13-17(12-21(2)20-13)18(19)16-10-8-15(9-11-16)14-6-4-3-5-7-14/h3-12,18H,19H2,1-2H3
InChIKeyWKVQUCWKBCMNBU-UHFFFAOYSA-N
MW277.37 g/mol
LogP3.44
Rot. Bonds3

About (1,3-dimethylpyrazol-4-yl)-(4-phenylphenyl)methanamine

(1,3-dimethylpyrazol-4-yl)-(4-phenylphenyl)methanamine (PubChem CID 102803820) has the molecular formula C18H19N3 and a molecular weight of 277.37 g/mol. Its IUPAC name is (1,3-dimethylpyrazol-4-yl)-(4-phenylphenyl)methanamine.

Molecular Properties

Compound Name(1,3-dimethylpyrazol-4-yl)-(4-phenylphenyl)methanamine
PubChem CID102803820
Molecular FormulaC18H19N3
Molecular Weight277.37 g/mol
Exact Mass277.16
IUPAC Name(1,3-dimethylpyrazol-4-yl)-(4-phenylphenyl)methanamine
SMILESCc1nn(C)cc1C(N)c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C18H19N3/c1-13-17(12-21(2)20-13)18(19)16-10-8-15(9-11-16)14-6-4-3-5-7-14/h3-12,18H,19H2,1-2H3
InChIKeyWKVQUCWKBCMNBU-UHFFFAOYSA-N
XLogP3.44
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 ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(1,3-dimethylpyrazol-4-yl)-thiophen-2-ylmethanamine
CID 102803051
(1,3-dimethylpyrazol-4-yl)-[3-(trifluoromethyl)phenyl]methanamine
CID 102803479
(1,3-dimethylpyrazol-4-yl)-(3-methyl-1-benzofuran-2-yl)methanamine
CID 65197301
(2-methylfuran-3-yl)-(4-phenylphenyl)methanamine
CID 43464106
(1,3-dimethylpyrazol-4-yl)-(4-methylphenyl)methanol
CID 83090741
(1S)-N-[1-(1,3-dimethylpyrazol-4-yl)ethyl]-1-phenylethanamine
CID 81351580
(1,3-dimethylpyrazol-4-yl)-(5-fluoro-2-methylphenyl)methanamine
CID 102803513
(1,3-dimethylpyrazol-4-yl)-(3-propyltriazol-4-yl)methanamine
CID 102804469
2-(2-chlorophenyl)-1-(1,3-dimethylpyrazol-4-yl)ethanamine
CID 102803032
(2R)-2-(1,3-dimethylpyrazol-4-yl)-2-(5-phenyl-3,4-dihydropyrazol-2-yl)acetonitrile
CID 40975352
(2S)-2-(1,3-dimethylpyrazol-4-yl)-2-(5-phenyl-3,4-dihydropyrazol-2-yl)acetonitrile
CID 40975351
2-amino-2-(1,3-dimethylpyrazol-4-yl)ethanol
CID 83091814

Frequently Asked Questions

What is the IUPAC name of (1,3-dimethylpyrazol-4-yl)-(4-phenylphenyl)methanamine?
The IUPAC name of (1,3-dimethylpyrazol-4-yl)-(4-phenylphenyl)methanamine (CID 102803820) is (1,3-dimethylpyrazol-4-yl)-(4-phenylphenyl)methanamine.
What is the SMILES notation for (1,3-dimethylpyrazol-4-yl)-(4-phenylphenyl)methanamine?
The canonical SMILES for (1,3-dimethylpyrazol-4-yl)-(4-phenylphenyl)methanamine is Cc1nn(C)cc1C(N)c1ccc(-c2ccccc2)cc1.
What is the InChIKey of (1,3-dimethylpyrazol-4-yl)-(4-phenylphenyl)methanamine?
The InChIKey is WKVQUCWKBCMNBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3/c1-13-17(12-21(2)20-13)18(19)16-10-8-15(9-11-16)14-6-4-3-5-7-14/h3-12,18H,19H2,1-2H3.
What are the key properties of (1,3-dimethylpyrazol-4-yl)-(4-phenylphenyl)methanamine?
(1,3-dimethylpyrazol-4-yl)-(4-phenylphenyl)methanamine has a molecular weight of 277.37 g/mol, XLogP of 3.44, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1,3-dimethylpyrazol-4-yl)-(4-phenylphenyl)methanamine is sourced from PubChem (CID 102803820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).