1-[(3-methylphenyl)methyl]-3-(2-methylpyrazol-3-yl)pyrazol-4-amine

C15H17N5 — CID 106758609

IUPAC1-[(3-methylphenyl)methyl]-3-(2-methylpyrazol-3-yl)pyrazol-4-amine
SMILESCc1cccc(Cn2cc(N)c(-c3ccnn3C)n2)c1
InChIInChI=1S/C15H17N5/c1-11-4-3-5-12(8-11)9-20-10-13(16)15(18-20)14-6-7-17-19(14)2/h3-8,10H,9,16H2,1-2H3
InChIKeySIZDRJKQTUXEFJ-UHFFFAOYSA-N
MW267.34 g/mol
LogP2.22
Rot. Bonds3

About 1-[(3-methylphenyl)methyl]-3-(2-methylpyrazol-3-yl)pyrazol-4-amine

1-[(3-methylphenyl)methyl]-3-(2-methylpyrazol-3-yl)pyrazol-4-amine (PubChem CID 106758609) has the molecular formula C15H17N5 and a molecular weight of 267.34 g/mol. Its IUPAC name is 1-[(3-methylphenyl)methyl]-3-(2-methylpyrazol-3-yl)pyrazol-4-amine.

Molecular Properties

Compound Name1-[(3-methylphenyl)methyl]-3-(2-methylpyrazol-3-yl)pyrazol-4-amine
PubChem CID106758609
Molecular FormulaC15H17N5
Molecular Weight267.34 g/mol
Exact Mass267.15
IUPAC Name1-[(3-methylphenyl)methyl]-3-(2-methylpyrazol-3-yl)pyrazol-4-amine
SMILESCc1cccc(Cn2cc(N)c(-c3ccnn3C)n2)c1
InChIInChI=1S/C15H17N5/c1-11-4-3-5-12(8-11)9-20-10-13(16)15(18-20)14-6-7-17-19(14)2/h3-8,10H,9,16H2,1-2H3
InChIKeySIZDRJKQTUXEFJ-UHFFFAOYSA-N
XLogP2.22
TPSA61.66 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.34
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-benzyl-3-(2-methylpyrazol-3-yl)pyrazol-4-amine
CID 106758588
3-(furan-2-yl)-1-[(3-methylphenyl)methyl]pyrazol-4-amine
CID 83223400
3-(4-bromophenyl)-1-[(3-methylphenyl)methyl]pyrazol-4-amine
CID 83205131
3-(2-methylphenyl)-1-[(3-methylphenyl)methyl]pyrazol-4-amine
CID 83204094
1-[(3-methylphenyl)methyl]-3-(5-methylthiophen-2-yl)pyrazol-4-amine
CID 83222416
1-[(3-chlorophenyl)methyl]-3-(2-methylpyrazol-3-yl)pyrazole-4-carbaldehyde
CID 106758508
3-cyclopentyl-1-[(3-methylphenyl)methyl]pyrazol-4-amine
CID 83222255
1-[(3-methylphenyl)methyl]pyrazol-4-amine
CID 7017120
1-(3,5-dimethylphenyl)-3-(2-methylpyrazol-3-yl)pyrazol-4-amine
CID 106758585
1-benzyl-3-(2,4-dimethylphenyl)pyrazol-4-amine
CID 83203407
1-[(3-bromophenyl)methyl]-3-(2,5-dimethylfuran-3-yl)pyrazol-4-amine
CID 83203193
1-ethyl-3-(3-methylphenyl)pyrazol-4-amine
CID 83216683

Frequently Asked Questions

What is the IUPAC name of 1-[(3-methylphenyl)methyl]-3-(2-methylpyrazol-3-yl)pyrazol-4-amine?
The IUPAC name of 1-[(3-methylphenyl)methyl]-3-(2-methylpyrazol-3-yl)pyrazol-4-amine (CID 106758609) is 1-[(3-methylphenyl)methyl]-3-(2-methylpyrazol-3-yl)pyrazol-4-amine.
What is the SMILES notation for 1-[(3-methylphenyl)methyl]-3-(2-methylpyrazol-3-yl)pyrazol-4-amine?
The canonical SMILES for 1-[(3-methylphenyl)methyl]-3-(2-methylpyrazol-3-yl)pyrazol-4-amine is Cc1cccc(Cn2cc(N)c(-c3ccnn3C)n2)c1.
What is the InChIKey of 1-[(3-methylphenyl)methyl]-3-(2-methylpyrazol-3-yl)pyrazol-4-amine?
The InChIKey is SIZDRJKQTUXEFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N5/c1-11-4-3-5-12(8-11)9-20-10-13(16)15(18-20)14-6-7-17-19(14)2/h3-8,10H,9,16H2,1-2H3.
What are the key properties of 1-[(3-methylphenyl)methyl]-3-(2-methylpyrazol-3-yl)pyrazol-4-amine?
1-[(3-methylphenyl)methyl]-3-(2-methylpyrazol-3-yl)pyrazol-4-amine has a molecular weight of 267.34 g/mol, XLogP of 2.22, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-methylphenyl)methyl]-3-(2-methylpyrazol-3-yl)pyrazol-4-amine is sourced from PubChem (CID 106758609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).