5-[(1-methylpyrazol-4-yl)methyl]pyrimidine-4-carboxylic acid

C10H10N4O2 — CID 159895965

IUPAC5-[(1-methylpyrazol-4-yl)methyl]pyrimidine-4-carboxylic acid
SMILESCn1cc(Cc2cncnc2C(=O)O)cn1
InChIInChI=1S/C10H10N4O2/c1-14-5-7(3-13-14)2-8-4-11-6-12-9(8)10(15)16/h3-6H,2H2,1H3,(H,15,16)
InChIKeyNVIROXRLUVGNSX-UHFFFAOYSA-N
MW218.22 g/mol
LogP0.50
Rot. Bonds3

About 5-[(1-methylpyrazol-4-yl)methyl]pyrimidine-4-carboxylic acid

5-[(1-methylpyrazol-4-yl)methyl]pyrimidine-4-carboxylic acid (PubChem CID 159895965) has the molecular formula C10H10N4O2 and a molecular weight of 218.22 g/mol. Its IUPAC name is 5-[(1-methylpyrazol-4-yl)methyl]pyrimidine-4-carboxylic acid.

Molecular Properties

Compound Name5-[(1-methylpyrazol-4-yl)methyl]pyrimidine-4-carboxylic acid
PubChem CID159895965
Molecular FormulaC10H10N4O2
Molecular Weight218.22 g/mol
Exact Mass218.08
IUPAC Name5-[(1-methylpyrazol-4-yl)methyl]pyrimidine-4-carboxylic acid
SMILESCn1cc(Cc2cncnc2C(=O)O)cn1
InChIInChI=1S/C10H10N4O2/c1-14-5-7(3-13-14)2-8-4-11-6-12-9(8)10(15)16/h3-6H,2H2,1H3,(H,15,16)
InChIKeyNVIROXRLUVGNSX-UHFFFAOYSA-N
XLogP0.50
TPSA80.90 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.22
LogP ≤ 50.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-[(1-methylpyrazol-4-yl)methyl]pyrimidine-4-carboxylic acid?
The IUPAC name of 5-[(1-methylpyrazol-4-yl)methyl]pyrimidine-4-carboxylic acid (CID 159895965) is 5-[(1-methylpyrazol-4-yl)methyl]pyrimidine-4-carboxylic acid.
What is the SMILES notation for 5-[(1-methylpyrazol-4-yl)methyl]pyrimidine-4-carboxylic acid?
The canonical SMILES for 5-[(1-methylpyrazol-4-yl)methyl]pyrimidine-4-carboxylic acid is Cn1cc(Cc2cncnc2C(=O)O)cn1.
What is the InChIKey of 5-[(1-methylpyrazol-4-yl)methyl]pyrimidine-4-carboxylic acid?
The InChIKey is NVIROXRLUVGNSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N4O2/c1-14-5-7(3-13-14)2-8-4-11-6-12-9(8)10(15)16/h3-6H,2H2,1H3,(H,15,16).
What are the key properties of 5-[(1-methylpyrazol-4-yl)methyl]pyrimidine-4-carboxylic acid?
5-[(1-methylpyrazol-4-yl)methyl]pyrimidine-4-carboxylic acid has a molecular weight of 218.22 g/mol, XLogP of 0.50, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(1-methylpyrazol-4-yl)methyl]pyrimidine-4-carboxylic acid is sourced from PubChem (CID 159895965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).