2-[(2,5-dimethylphenyl)-phenylmethyl]pyrazol-3-amine

C18H19N3 — CID 16784817

IUPAC2-[(2,5-dimethylphenyl)-phenylmethyl]pyrazol-3-amine
SMILESCc1ccc(C)c(C(c2ccccc2)n2nccc2N)c1
InChIInChI=1S/C18H19N3/c1-13-8-9-14(2)16(12-13)18(15-6-4-3-5-7-15)21-17(19)10-11-20-21/h3-12,18H,19H2,1-2H3
InChIKeyAWZHMKIJVHCRHD-UHFFFAOYSA-N
MW277.37 g/mol
LogP3.72
Rot. Bonds3

About 2-[(2,5-dimethylphenyl)-phenylmethyl]pyrazol-3-amine

2-[(2,5-dimethylphenyl)-phenylmethyl]pyrazol-3-amine (PubChem CID 16784817) has the molecular formula C18H19N3 and a molecular weight of 277.37 g/mol. Its IUPAC name is 2-[(2,5-dimethylphenyl)-phenylmethyl]pyrazol-3-amine.

Molecular Properties

Compound Name2-[(2,5-dimethylphenyl)-phenylmethyl]pyrazol-3-amine
PubChem CID16784817
Molecular FormulaC18H19N3
Molecular Weight277.37 g/mol
Exact Mass277.16
IUPAC Name2-[(2,5-dimethylphenyl)-phenylmethyl]pyrazol-3-amine
SMILESCc1ccc(C)c(C(c2ccccc2)n2nccc2N)c1
InChIInChI=1S/C18H19N3/c1-13-8-9-14(2)16(12-13)18(15-6-4-3-5-7-15)21-17(19)10-11-20-21/h3-12,18H,19H2,1-2H3
InChIKeyAWZHMKIJVHCRHD-UHFFFAOYSA-N
XLogP3.72
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 ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-methyl-1-phenylpropyl)pyrazol-3-amine
CID 63193718
[4-[(2,5-dimethylphenyl)-phenylmethyl]piperazin-1-yl]-(2-methylpyrazol-3-yl)methanone
CID 91938721
2-(2-chloro-1-phenylethyl)-1,4-dimethylbenzene
CID 66436960
2-(2,5-dimethylphenyl)pyrazol-3-amine
CID 43316773
[4-[(2,5-dimethylphenyl)-phenylmethyl]piperazin-1-yl]-pyridin-3-ylmethanone
CID 91938736
1-[(2,5-dimethylphenyl)-(4-phenylphenyl)methyl]piperidine-2-carboxylic acid
CID 4009296
(3-methylphenyl)-(2-propan-2-ylpyrazol-3-yl)methanamine
CID 114197621
2-[1-(2,5-dimethylfuran-3-yl)ethyl]pyrazol-3-amine
CID 43121456
2-(2-bromo-3-methyl-1-phenylbutyl)-1,4-dimethylbenzene
CID 79297893
[4-[(S)-(2,5-dimethylphenyl)-phenylmethyl]piperazin-1-yl]-(1,5-dimethylpyrazol-3-yl)methanone
CID 97458548
1-[(2,4-dimethylphenyl)-phenylmethyl]azetidin-3-amine
CID 65244615
[4-[(S)-(2,5-dimethylphenyl)-phenylmethyl]piperazin-1-yl]-thiophen-2-ylmethanone
CID 97458570

Frequently Asked Questions

What is the IUPAC name of 2-[(2,5-dimethylphenyl)-phenylmethyl]pyrazol-3-amine?
The IUPAC name of 2-[(2,5-dimethylphenyl)-phenylmethyl]pyrazol-3-amine (CID 16784817) is 2-[(2,5-dimethylphenyl)-phenylmethyl]pyrazol-3-amine.
What is the SMILES notation for 2-[(2,5-dimethylphenyl)-phenylmethyl]pyrazol-3-amine?
The canonical SMILES for 2-[(2,5-dimethylphenyl)-phenylmethyl]pyrazol-3-amine is Cc1ccc(C)c(C(c2ccccc2)n2nccc2N)c1.
What is the InChIKey of 2-[(2,5-dimethylphenyl)-phenylmethyl]pyrazol-3-amine?
The InChIKey is AWZHMKIJVHCRHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3/c1-13-8-9-14(2)16(12-13)18(15-6-4-3-5-7-15)21-17(19)10-11-20-21/h3-12,18H,19H2,1-2H3.
What are the key properties of 2-[(2,5-dimethylphenyl)-phenylmethyl]pyrazol-3-amine?
2-[(2,5-dimethylphenyl)-phenylmethyl]pyrazol-3-amine has a molecular weight of 277.37 g/mol, XLogP of 3.72, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,5-dimethylphenyl)-phenylmethyl]pyrazol-3-amine is sourced from PubChem (CID 16784817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).