1,3-dimethyl-5-[(2-methylpyrimidin-4-yl)methylamino]pyrazole-4-carboxylic acid

C12H15N5O2 — CID 63757593

IUPAC1,3-dimethyl-5-[(2-methylpyrimidin-4-yl)methylamino]pyrazole-4-carboxylic acid
SMILESCc1nccc(CNc2c(C(=O)O)c(C)nn2C)n1
InChIInChI=1S/C12H15N5O2/c1-7-10(12(18)19)11(17(3)16-7)14-6-9-4-5-13-8(2)15-9/h4-5,14H,6H2,1-3H3,(H,18,19)
InChIKeyOWFPWMFZZCSCPL-UHFFFAOYSA-N
MW261.28 g/mol
LogP1.14
Rot. Bonds4

About 1,3-dimethyl-5-[(2-methylpyrimidin-4-yl)methylamino]pyrazole-4-carboxylic acid

1,3-dimethyl-5-[(2-methylpyrimidin-4-yl)methylamino]pyrazole-4-carboxylic acid (PubChem CID 63757593) has the molecular formula C12H15N5O2 and a molecular weight of 261.28 g/mol. Its IUPAC name is 1,3-dimethyl-5-[(2-methylpyrimidin-4-yl)methylamino]pyrazole-4-carboxylic acid.

Molecular Properties

Compound Name1,3-dimethyl-5-[(2-methylpyrimidin-4-yl)methylamino]pyrazole-4-carboxylic acid
PubChem CID63757593
Molecular FormulaC12H15N5O2
Molecular Weight261.28 g/mol
Exact Mass261.12
IUPAC Name1,3-dimethyl-5-[(2-methylpyrimidin-4-yl)methylamino]pyrazole-4-carboxylic acid
SMILESCc1nccc(CNc2c(C(=O)O)c(C)nn2C)n1
InChIInChI=1S/C12H15N5O2/c1-7-10(12(18)19)11(17(3)16-7)14-6-9-4-5-13-8(2)15-9/h4-5,14H,6H2,1-3H3,(H,18,19)
InChIKeyOWFPWMFZZCSCPL-UHFFFAOYSA-N
XLogP1.14
TPSA92.93 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.28
LogP ≤ 51.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1,3-dimethyl-5-[(2-methylpyrimidin-4-yl)methylamino]pyrazole-4-carboxylic acid?
The IUPAC name of 1,3-dimethyl-5-[(2-methylpyrimidin-4-yl)methylamino]pyrazole-4-carboxylic acid (CID 63757593) is 1,3-dimethyl-5-[(2-methylpyrimidin-4-yl)methylamino]pyrazole-4-carboxylic acid.
What is the SMILES notation for 1,3-dimethyl-5-[(2-methylpyrimidin-4-yl)methylamino]pyrazole-4-carboxylic acid?
The canonical SMILES for 1,3-dimethyl-5-[(2-methylpyrimidin-4-yl)methylamino]pyrazole-4-carboxylic acid is Cc1nccc(CNc2c(C(=O)O)c(C)nn2C)n1.
What is the InChIKey of 1,3-dimethyl-5-[(2-methylpyrimidin-4-yl)methylamino]pyrazole-4-carboxylic acid?
The InChIKey is OWFPWMFZZCSCPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N5O2/c1-7-10(12(18)19)11(17(3)16-7)14-6-9-4-5-13-8(2)15-9/h4-5,14H,6H2,1-3H3,(H,18,19).
What are the key properties of 1,3-dimethyl-5-[(2-methylpyrimidin-4-yl)methylamino]pyrazole-4-carboxylic acid?
1,3-dimethyl-5-[(2-methylpyrimidin-4-yl)methylamino]pyrazole-4-carboxylic acid has a molecular weight of 261.28 g/mol, XLogP of 1.14, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dimethyl-5-[(2-methylpyrimidin-4-yl)methylamino]pyrazole-4-carboxylic acid is sourced from PubChem (CID 63757593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).