5-chloro-4-(3-methylpyrazol-1-yl)pyrimidine-2-carboxylic acid

C9H7ClN4O2 — CID 156842556

IUPAC5-chloro-4-(3-methylpyrazol-1-yl)pyrimidine-2-carboxylic acid
SMILESCc1ccn(-c2nc(C(=O)O)ncc2Cl)n1
InChIInChI=1S/C9H7ClN4O2/c1-5-2-3-14(13-5)8-6(10)4-11-7(12-8)9(15)16/h2-4H,1H3,(H,15,16)
InChIKeyJSHVZGCANCRMQG-UHFFFAOYSA-N
MW238.63 g/mol
LogP1.32
Rot. Bonds2

About 5-chloro-4-(3-methylpyrazol-1-yl)pyrimidine-2-carboxylic acid

5-chloro-4-(3-methylpyrazol-1-yl)pyrimidine-2-carboxylic acid (PubChem CID 156842556) has the molecular formula C9H7ClN4O2 and a molecular weight of 238.63 g/mol. Its IUPAC name is 5-chloro-4-(3-methylpyrazol-1-yl)pyrimidine-2-carboxylic acid.

Molecular Properties

Compound Name5-chloro-4-(3-methylpyrazol-1-yl)pyrimidine-2-carboxylic acid
PubChem CID156842556
Molecular FormulaC9H7ClN4O2
Molecular Weight238.63 g/mol
Exact Mass238.03
IUPAC Name5-chloro-4-(3-methylpyrazol-1-yl)pyrimidine-2-carboxylic acid
SMILESCc1ccn(-c2nc(C(=O)O)ncc2Cl)n1
InChIInChI=1S/C9H7ClN4O2/c1-5-2-3-14(13-5)8-6(10)4-11-7(12-8)9(15)16/h2-4H,1H3,(H,15,16)
InChIKeyJSHVZGCANCRMQG-UHFFFAOYSA-N
XLogP1.32
TPSA80.90 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.63
LogP ≤ 51.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

7-Methyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxylic acid
CID 3697061
5-Methyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxylic acid
CID 21613028
2-[(5-Methylpyrazolo[1,5-a]pyrimidin-7-yl)amino]acetic acid
CID 12366049
5-(Trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxylic acid
CID 12012772
7-(Trifluoromethyl)[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxylic acid
CID 7174591
Methyl 1-[4-(trifluoromethyl)pyrimidin-2-yl]-1,2,4-triazole-3-carboxylate
CID 78987093
Methyl 7-[chloro(difluoro)methyl]-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxylate
CID 103200454
7-(Difluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxylic acid
CID 104866687
7-[Chloro(difluoro)methyl]-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxylic acid
CID 104866688
2-[[4-(4-Chloropyrazol-1-yl)pyrimidin-2-yl]-methylamino]acetic acid
CID 23545995
6-(3-Methyl-1h-pyrazol-1-yl)-4-chloropyrimidine
CID 45787771
2-(4-Chloro-5-methyl-3-pyrimidin-2-ylpyrazol-1-yl)acetic acid
CID 59813980

Frequently Asked Questions

What is the IUPAC name of 5-chloro-4-(3-methylpyrazol-1-yl)pyrimidine-2-carboxylic acid?
The IUPAC name of 5-chloro-4-(3-methylpyrazol-1-yl)pyrimidine-2-carboxylic acid (CID 156842556) is 5-chloro-4-(3-methylpyrazol-1-yl)pyrimidine-2-carboxylic acid.
What is the SMILES notation for 5-chloro-4-(3-methylpyrazol-1-yl)pyrimidine-2-carboxylic acid?
The canonical SMILES for 5-chloro-4-(3-methylpyrazol-1-yl)pyrimidine-2-carboxylic acid is Cc1ccn(-c2nc(C(=O)O)ncc2Cl)n1.
What is the InChIKey of 5-chloro-4-(3-methylpyrazol-1-yl)pyrimidine-2-carboxylic acid?
The InChIKey is JSHVZGCANCRMQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7ClN4O2/c1-5-2-3-14(13-5)8-6(10)4-11-7(12-8)9(15)16/h2-4H,1H3,(H,15,16).
What are the key properties of 5-chloro-4-(3-methylpyrazol-1-yl)pyrimidine-2-carboxylic acid?
5-chloro-4-(3-methylpyrazol-1-yl)pyrimidine-2-carboxylic acid has a molecular weight of 238.63 g/mol, XLogP of 1.32, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-4-(3-methylpyrazol-1-yl)pyrimidine-2-carboxylic acid is sourced from PubChem (CID 156842556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).