3-[5-methyl-3-(3-methylphenyl)-1H-pyrazol-4-yl]pyridin-2-amine

C16H16N4 — CID 57112868

IUPAC3-[5-methyl-3-(3-methylphenyl)-1H-pyrazol-4-yl]pyridin-2-amine
SMILESCc1cccc(-c2n[nH]c(C)c2-c2cccnc2N)c1
InChIInChI=1S/C16H16N4/c1-10-5-3-6-12(9-10)15-14(11(2)19-20-15)13-7-4-8-18-16(13)17/h3-9H,1-2H3,(H2,17,18)(H,19,20)
InChIKeyLFRLORDAPWSSDW-UHFFFAOYSA-N
MW264.33 g/mol
LogP3.34
Rot. Bonds2

About 3-[5-methyl-3-(3-methylphenyl)-1H-pyrazol-4-yl]pyridin-2-amine

3-[5-methyl-3-(3-methylphenyl)-1H-pyrazol-4-yl]pyridin-2-amine (PubChem CID 57112868) has the molecular formula C16H16N4 and a molecular weight of 264.33 g/mol. Its IUPAC name is 3-[5-methyl-3-(3-methylphenyl)-1H-pyrazol-4-yl]pyridin-2-amine.

Molecular Properties

Compound Name3-[5-methyl-3-(3-methylphenyl)-1H-pyrazol-4-yl]pyridin-2-amine
PubChem CID57112868
Molecular FormulaC16H16N4
Molecular Weight264.33 g/mol
Exact Mass264.14
IUPAC Name3-[5-methyl-3-(3-methylphenyl)-1H-pyrazol-4-yl]pyridin-2-amine
SMILESCc1cccc(-c2n[nH]c(C)c2-c2cccnc2N)c1
InChIInChI=1S/C16H16N4/c1-10-5-3-6-12(9-10)15-14(11(2)19-20-15)13-7-4-8-18-16(13)17/h3-9H,1-2H3,(H2,17,18)(H,19,20)
InChIKeyLFRLORDAPWSSDW-UHFFFAOYSA-N
XLogP3.34
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.33
LogP ≤ 53.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

[3-[3-(3-chlorophenyl)-5-methyl-1H-pyrazol-4-yl]-2-pyridinyl]methanamine
CID 23068676
[3-(3-methylphenyl)-2-pyridinyl]methanamine
CID 82106036
2-[3-(3-chlorophenyl)-5-methyl-1H-pyrazol-4-yl]pyridine
CID 57056355
2-[3-(3-methylphenyl)-5-(trifluoromethyl)-1H-pyrazol-4-yl]pyridine
CID 159749532
2-(difluoromethyl)-3-(3-methylphenyl)pyridine
CID 178100787
5-(2,3-dimethylphenyl)-4-(3-methylphenyl)-1H-pyrazol-3-amine
CID 62830116
[6-amino-5-(3-methylphenyl)-3-pyridinyl]boronic acid
CID 164858834
6-[2-(3-methylphenyl)-3-pyridinyl]quinoxaline
CID 90095667
[2-amino-4-(3-methylphenyl)-3-pyridinyl]methanol
CID 172776628
3-methyl-6-(3-methylphenyl)-1,2,4-triazin-5-amine
CID 116823512
8-[2-(3-methylphenyl)phenyl]quinoline
CID 134445651
4-(3-methylphenyl)-5-(4-methylphenyl)-1H-pyrazol-3-amine
CID 62829235

Frequently Asked Questions

What is the IUPAC name of 3-[5-methyl-3-(3-methylphenyl)-1H-pyrazol-4-yl]pyridin-2-amine?
The IUPAC name of 3-[5-methyl-3-(3-methylphenyl)-1H-pyrazol-4-yl]pyridin-2-amine (CID 57112868) is 3-[5-methyl-3-(3-methylphenyl)-1H-pyrazol-4-yl]pyridin-2-amine.
What is the SMILES notation for 3-[5-methyl-3-(3-methylphenyl)-1H-pyrazol-4-yl]pyridin-2-amine?
The canonical SMILES for 3-[5-methyl-3-(3-methylphenyl)-1H-pyrazol-4-yl]pyridin-2-amine is Cc1cccc(-c2n[nH]c(C)c2-c2cccnc2N)c1.
What is the InChIKey of 3-[5-methyl-3-(3-methylphenyl)-1H-pyrazol-4-yl]pyridin-2-amine?
The InChIKey is LFRLORDAPWSSDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N4/c1-10-5-3-6-12(9-10)15-14(11(2)19-20-15)13-7-4-8-18-16(13)17/h3-9H,1-2H3,(H2,17,18)(H,19,20).
What are the key properties of 3-[5-methyl-3-(3-methylphenyl)-1H-pyrazol-4-yl]pyridin-2-amine?
3-[5-methyl-3-(3-methylphenyl)-1H-pyrazol-4-yl]pyridin-2-amine has a molecular weight of 264.33 g/mol, XLogP of 3.34, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-methyl-3-(3-methylphenyl)-1H-pyrazol-4-yl]pyridin-2-amine is sourced from PubChem (CID 57112868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).