1-methyl-4-(2-methylphenyl)-3-pyrimidin-5-ylpyrazol-5-amine

C15H15N5 — CID 102921938

IUPAC1-methyl-4-(2-methylphenyl)-3-pyrimidin-5-ylpyrazol-5-amine
SMILESCc1ccccc1-c1c(-c2cncnc2)nn(C)c1N
InChIInChI=1S/C15H15N5/c1-10-5-3-4-6-12(10)13-14(19-20(2)15(13)16)11-7-17-9-18-8-11/h3-9H,16H2,1-2H3
InChIKeyKCVQPIHOYJQJQA-UHFFFAOYSA-N
MW265.32 g/mol
LogP2.43
Rot. Bonds2

About 1-methyl-4-(2-methylphenyl)-3-pyrimidin-5-ylpyrazol-5-amine

1-methyl-4-(2-methylphenyl)-3-pyrimidin-5-ylpyrazol-5-amine (PubChem CID 102921938) has the molecular formula C15H15N5 and a molecular weight of 265.32 g/mol. Its IUPAC name is 1-methyl-4-(2-methylphenyl)-3-pyrimidin-5-ylpyrazol-5-amine.

Molecular Properties

Compound Name1-methyl-4-(2-methylphenyl)-3-pyrimidin-5-ylpyrazol-5-amine
PubChem CID102921938
Molecular FormulaC15H15N5
Molecular Weight265.32 g/mol
Exact Mass265.13
IUPAC Name1-methyl-4-(2-methylphenyl)-3-pyrimidin-5-ylpyrazol-5-amine
SMILESCc1ccccc1-c1c(-c2cncnc2)nn(C)c1N
InChIInChI=1S/C15H15N5/c1-10-5-3-4-6-12(10)13-14(19-20(2)15(13)16)11-7-17-9-18-8-11/h3-9H,16H2,1-2H3
InChIKeyKCVQPIHOYJQJQA-UHFFFAOYSA-N
XLogP2.43
TPSA69.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.32
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-(4-iodophenyl)-1-methyl-4-(2-methylphenyl)pyrazol-5-amine
CID 43336269
3-(5-iodothiophen-3-yl)-1-methyl-4-(2-methylphenyl)pyrazol-5-amine
CID 79693790
1-methyl-4-(2-methylphenyl)-3-(5-methylthiophen-2-yl)pyrazol-5-amine
CID 43158510
4-(3-bromophenyl)-1-methyl-3-pyrimidin-5-ylpyrazol-5-amine
CID 102921955
4-(2-chloro-4-fluorophenyl)-1-methyl-3-pyrimidin-5-ylpyrazol-5-amine
CID 102921984
4-(3,4-dichlorophenyl)-1-methyl-3-pyrimidin-5-ylpyrazol-5-amine
CID 102921972
5-(2-methylphenyl)pyrimidine
CID 4188102
1-methyl-3-(2-methylphenyl)-4-pyridin-2-ylpyrazol-5-amine
CID 80521659
3-(2,3-dimethylphenyl)-1-methyl-4-phenylpyrazol-5-amine
CID 43336371
1-methyl-4-(2-methylphenyl)-3-pentan-3-ylpyrazol-5-amine
CID 43336276
1-methyl-3-(2-methyl-3-pyridinyl)-4-pyridin-3-ylpyrazol-5-amine
CID 80522938
1-methyl-4-(2-methylphenyl)-3-(oxan-4-yl)pyrazol-5-amine
CID 62905153

Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-(2-methylphenyl)-3-pyrimidin-5-ylpyrazol-5-amine?
The IUPAC name of 1-methyl-4-(2-methylphenyl)-3-pyrimidin-5-ylpyrazol-5-amine (CID 102921938) is 1-methyl-4-(2-methylphenyl)-3-pyrimidin-5-ylpyrazol-5-amine.
What is the SMILES notation for 1-methyl-4-(2-methylphenyl)-3-pyrimidin-5-ylpyrazol-5-amine?
The canonical SMILES for 1-methyl-4-(2-methylphenyl)-3-pyrimidin-5-ylpyrazol-5-amine is Cc1ccccc1-c1c(-c2cncnc2)nn(C)c1N.
What is the InChIKey of 1-methyl-4-(2-methylphenyl)-3-pyrimidin-5-ylpyrazol-5-amine?
The InChIKey is KCVQPIHOYJQJQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N5/c1-10-5-3-4-6-12(10)13-14(19-20(2)15(13)16)11-7-17-9-18-8-11/h3-9H,16H2,1-2H3.
What are the key properties of 1-methyl-4-(2-methylphenyl)-3-pyrimidin-5-ylpyrazol-5-amine?
1-methyl-4-(2-methylphenyl)-3-pyrimidin-5-ylpyrazol-5-amine has a molecular weight of 265.32 g/mol, XLogP of 2.43, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-(2-methylphenyl)-3-pyrimidin-5-ylpyrazol-5-amine is sourced from PubChem (CID 102921938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).