1,3-bis(2-methylphenyl)pyrazol-5-amine

C17H17N3 — CID 4204944

IUPAC1,3-bis(2-methylphenyl)pyrazol-5-amine
SMILESCc1ccccc1-c1cc(N)n(-c2ccccc2C)n1
InChIInChI=1S/C17H17N3/c1-12-7-3-5-9-14(12)15-11-17(18)20(19-15)16-10-6-4-8-13(16)2/h3-11H,18H2,1-2H3
InChIKeyROAZZHQFDNRZDD-UHFFFAOYSA-N
MW263.34 g/mol
LogP3.74
Rot. Bonds2

About 1,3-bis(2-methylphenyl)pyrazol-5-amine

1,3-bis(2-methylphenyl)pyrazol-5-amine (PubChem CID 4204944) has the molecular formula C17H17N3 and a molecular weight of 263.34 g/mol. Its IUPAC name is 1,3-bis(2-methylphenyl)pyrazol-5-amine.

Molecular Properties

Compound Name1,3-bis(2-methylphenyl)pyrazol-5-amine
PubChem CID4204944
Molecular FormulaC17H17N3
Molecular Weight263.34 g/mol
Exact Mass263.14
IUPAC Name1,3-bis(2-methylphenyl)pyrazol-5-amine
SMILESCc1ccccc1-c1cc(N)n(-c2ccccc2C)n1
InChIInChI=1S/C17H17N3/c1-12-7-3-5-9-14(12)15-11-17(18)20(19-15)16-10-6-4-8-13(16)2/h3-11H,18H2,1-2H3
InChIKeyROAZZHQFDNRZDD-UHFFFAOYSA-N
XLogP3.74
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-Amino-3-methyl-1-phenylpyrazole
CID 70801
Pyrazole, 5-amino-3-(p-aminophenyl)-1-phenyl-
CID 202779
1-benzyl-3-methyl-1H-pyrazol-5-amine
CID 769146
3-Methyl-1-(2-methylphenyl)-1H-pyrazol-5-amine
CID 775688
1-tert-butyl-3-methyl-4-phenyl-1H-pyrazol-5-amine
CID 778073
3-Methyl-1,4-diphenyl-1H-pyrazol-5-amine
CID 619285
3-[3-tert-butyl-1-(4-methylphenyl)-1H-pyrazol-5-yl]-1-naphthalen-1-ylurea
CID 23646852
1-[1-(3-aminophenyl)-3-tert-butyl-1H-pyrazol-5-yl]-3-naphthalen-1-ylurea
CID 25174101
1,4-diphenyl-1H-pyrazol-5-amine
CID 4669245
2-Phenyl-2,4,5,6-tetrahydrocyclopenta[c]pyrazol-3-amine
CID 7130757
1,3-Diphenyl-1H-pyrazol-5-amine
CID 199969
3-tert-butyl-1-phenyl-1H-pyrazol-5-amine
CID 770634

Frequently Asked Questions

What is the IUPAC name of 1,3-bis(2-methylphenyl)pyrazol-5-amine?
The IUPAC name of 1,3-bis(2-methylphenyl)pyrazol-5-amine (CID 4204944) is 1,3-bis(2-methylphenyl)pyrazol-5-amine.
What is the SMILES notation for 1,3-bis(2-methylphenyl)pyrazol-5-amine?
The canonical SMILES for 1,3-bis(2-methylphenyl)pyrazol-5-amine is Cc1ccccc1-c1cc(N)n(-c2ccccc2C)n1.
What is the InChIKey of 1,3-bis(2-methylphenyl)pyrazol-5-amine?
The InChIKey is ROAZZHQFDNRZDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3/c1-12-7-3-5-9-14(12)15-11-17(18)20(19-15)16-10-6-4-8-13(16)2/h3-11H,18H2,1-2H3.
What are the key properties of 1,3-bis(2-methylphenyl)pyrazol-5-amine?
1,3-bis(2-methylphenyl)pyrazol-5-amine has a molecular weight of 263.34 g/mol, XLogP of 3.74, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-bis(2-methylphenyl)pyrazol-5-amine is sourced from PubChem (CID 4204944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).