3-(3,4-dimethylphenyl)-1-(4-methyl-2-pyridinyl)pyrazol-4-amine

C17H18N4 — CID 83208619

IUPAC3-(3,4-dimethylphenyl)-1-(4-methyl-2-pyridinyl)pyrazol-4-amine
SMILESCc1ccnc(-n2cc(N)c(-c3ccc(C)c(C)c3)n2)c1
InChIInChI=1S/C17H18N4/c1-11-6-7-19-16(8-11)21-10-15(18)17(20-21)14-5-4-12(2)13(3)9-14/h4-10H,18H2,1-3H3
InChIKeyXIMLYMIMUFKHHI-UHFFFAOYSA-N
MW278.36 g/mol
LogP3.44
Rot. Bonds2

About 3-(3,4-dimethylphenyl)-1-(4-methyl-2-pyridinyl)pyrazol-4-amine

3-(3,4-dimethylphenyl)-1-(4-methyl-2-pyridinyl)pyrazol-4-amine (PubChem CID 83208619) has the molecular formula C17H18N4 and a molecular weight of 278.36 g/mol. Its IUPAC name is 3-(3,4-dimethylphenyl)-1-(4-methyl-2-pyridinyl)pyrazol-4-amine.

Molecular Properties

Compound Name3-(3,4-dimethylphenyl)-1-(4-methyl-2-pyridinyl)pyrazol-4-amine
PubChem CID83208619
Molecular FormulaC17H18N4
Molecular Weight278.36 g/mol
Exact Mass278.15
IUPAC Name3-(3,4-dimethylphenyl)-1-(4-methyl-2-pyridinyl)pyrazol-4-amine
SMILESCc1ccnc(-n2cc(N)c(-c3ccc(C)c(C)c3)n2)c1
InChIInChI=1S/C17H18N4/c1-11-6-7-19-16(8-11)21-10-15(18)17(20-21)14-5-4-12(2)13(3)9-14/h4-10H,18H2,1-3H3
InChIKeyXIMLYMIMUFKHHI-UHFFFAOYSA-N
XLogP3.44
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.36
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(3-methylphenyl)-1-(4-methyl-2-pyridinyl)pyrazol-4-amine
CID 83217849
3-(4-bromophenyl)-1-(4-methyl-2-pyridinyl)pyrazol-4-amine
CID 83218367
3-(2,4-dimethylphenyl)-1-(4-methyl-2-pyridinyl)pyrazol-4-amine
CID 83208526
1-(4-methyl-2-pyridinyl)-3-propan-2-ylpyrazol-4-amine
CID 83217510
1-(2,5-dimethylphenyl)-3-phenylpyrazol-4-amine
CID 83217155
1-(2,5-dimethylphenyl)-3-(furan-3-yl)pyrazol-4-amine
CID 83217234
1-(2,5-dimethylphenyl)-3-pyridin-3-ylpyrazol-4-amine
CID 83216124
1-(3-chloro-4-methylphenyl)-3-(3-methylphenyl)pyrazol-4-amine
CID 83205233
1-(4-chlorophenyl)-3-(3-fluoro-4-methylphenyl)pyrazol-4-amine
CID 83203236
4-(3,4-dimethylphenyl)pyridin-2-amine
CID 82398202
3-(3,4-dimethylphenyl)-1-methyl-4-pyridin-2-ylpyrazol-5-amine
CID 80522035
3-(4-bromophenyl)-1-(3,5-dimethylphenyl)pyrazol-4-amine
CID 83203402

Frequently Asked Questions

What is the IUPAC name of 3-(3,4-dimethylphenyl)-1-(4-methyl-2-pyridinyl)pyrazol-4-amine?
The IUPAC name of 3-(3,4-dimethylphenyl)-1-(4-methyl-2-pyridinyl)pyrazol-4-amine (CID 83208619) is 3-(3,4-dimethylphenyl)-1-(4-methyl-2-pyridinyl)pyrazol-4-amine.
What is the SMILES notation for 3-(3,4-dimethylphenyl)-1-(4-methyl-2-pyridinyl)pyrazol-4-amine?
The canonical SMILES for 3-(3,4-dimethylphenyl)-1-(4-methyl-2-pyridinyl)pyrazol-4-amine is Cc1ccnc(-n2cc(N)c(-c3ccc(C)c(C)c3)n2)c1.
What is the InChIKey of 3-(3,4-dimethylphenyl)-1-(4-methyl-2-pyridinyl)pyrazol-4-amine?
The InChIKey is XIMLYMIMUFKHHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N4/c1-11-6-7-19-16(8-11)21-10-15(18)17(20-21)14-5-4-12(2)13(3)9-14/h4-10H,18H2,1-3H3.
What are the key properties of 3-(3,4-dimethylphenyl)-1-(4-methyl-2-pyridinyl)pyrazol-4-amine?
3-(3,4-dimethylphenyl)-1-(4-methyl-2-pyridinyl)pyrazol-4-amine has a molecular weight of 278.36 g/mol, XLogP of 3.44, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,4-dimethylphenyl)-1-(4-methyl-2-pyridinyl)pyrazol-4-amine is sourced from PubChem (CID 83208619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).