5-chloro-3-cyclopropyl-1-pyridin-2-ylpyrazole-4-carboxylic acid

C12H10ClN3O2 — CID 55189272

IUPAC5-chloro-3-cyclopropyl-1-pyridin-2-ylpyrazole-4-carboxylic acid
SMILESO=C(O)c1c(C2CC2)nn(-c2ccccn2)c1Cl
InChIInChI=1S/C12H10ClN3O2/c13-11-9(12(17)18)10(7-4-5-7)15-16(11)8-3-1-2-6-14-8/h1-3,6-7H,4-5H2,(H,17,18)
InChIKeyNPAPUMSWPHAGCK-UHFFFAOYSA-N
MW263.68 g/mol
LogP2.50
Rot. Bonds3

About 5-chloro-3-cyclopropyl-1-pyridin-2-ylpyrazole-4-carboxylic acid

5-chloro-3-cyclopropyl-1-pyridin-2-ylpyrazole-4-carboxylic acid (PubChem CID 55189272) has the molecular formula C12H10ClN3O2 and a molecular weight of 263.68 g/mol. Its IUPAC name is 5-chloro-3-cyclopropyl-1-pyridin-2-ylpyrazole-4-carboxylic acid.

Molecular Properties

Compound Name5-chloro-3-cyclopropyl-1-pyridin-2-ylpyrazole-4-carboxylic acid
PubChem CID55189272
Molecular FormulaC12H10ClN3O2
Molecular Weight263.68 g/mol
Exact Mass263.05
IUPAC Name5-chloro-3-cyclopropyl-1-pyridin-2-ylpyrazole-4-carboxylic acid
SMILESO=C(O)c1c(C2CC2)nn(-c2ccccn2)c1Cl
InChIInChI=1S/C12H10ClN3O2/c13-11-9(12(17)18)10(7-4-5-7)15-16(11)8-3-1-2-6-14-8/h1-3,6-7H,4-5H2,(H,17,18)
InChIKeyNPAPUMSWPHAGCK-UHFFFAOYSA-N
XLogP2.50
TPSA68.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.68
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-chloro-1-(3-chlorophenyl)-3-cyclopropylpyrazole-4-carboxylic acid
CID 63354074
5-cyclopropyl-1-pyridin-2-ylpyrazole-4-carboxylic acid
CID 28606397
5-amino-3-methyl-1-pyridin-2-ylpyrazole-4-carboxylic acid
CID 135371375
(5-chloro-3-cyclopropyl-1-pyrimidin-4-ylpyrazol-4-yl)methanol
CID 79823099
3-cyclopropyl-1-pyridin-2-yl-6,7-dihydro-5H-indazol-4-one
CID 22732696
1-[(4-bromophenyl)methyl]-5-chloro-3-cyclopropylpyrazole-4-carboxylic acid
CID 63354029
5-chloro-3-cyclopropyl-1-[(4-methylphenyl)methyl]pyrazole-4-carboxylic acid
CID 63353500
5-chloro-3-phenyl-1-pyrimidin-2-ylpyrazole-4-carboxylic acid
CID 43531878
(Z)-3-(3,5-dimethyl-1-pyridin-2-ylpyrazol-4-yl)-4-hydroxypent-3-en-2-one
CID 102202777
1-(1-pyridin-2-ylpiperidin-4-yl)ethanone
CID 63845661
2-(1-pyridin-2-ylpyrrolidin-3-yl)acetic acid
CID 66880578
2-chloro-2-phenyl-1-(4-pyridin-2-ylpiperazin-1-yl)ethanone
CID 3509836

Frequently Asked Questions

What is the IUPAC name of 5-chloro-3-cyclopropyl-1-pyridin-2-ylpyrazole-4-carboxylic acid?
The IUPAC name of 5-chloro-3-cyclopropyl-1-pyridin-2-ylpyrazole-4-carboxylic acid (CID 55189272) is 5-chloro-3-cyclopropyl-1-pyridin-2-ylpyrazole-4-carboxylic acid.
What is the SMILES notation for 5-chloro-3-cyclopropyl-1-pyridin-2-ylpyrazole-4-carboxylic acid?
The canonical SMILES for 5-chloro-3-cyclopropyl-1-pyridin-2-ylpyrazole-4-carboxylic acid is O=C(O)c1c(C2CC2)nn(-c2ccccn2)c1Cl.
What is the InChIKey of 5-chloro-3-cyclopropyl-1-pyridin-2-ylpyrazole-4-carboxylic acid?
The InChIKey is NPAPUMSWPHAGCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10ClN3O2/c13-11-9(12(17)18)10(7-4-5-7)15-16(11)8-3-1-2-6-14-8/h1-3,6-7H,4-5H2,(H,17,18).
What are the key properties of 5-chloro-3-cyclopropyl-1-pyridin-2-ylpyrazole-4-carboxylic acid?
5-chloro-3-cyclopropyl-1-pyridin-2-ylpyrazole-4-carboxylic acid has a molecular weight of 263.68 g/mol, XLogP of 2.50, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-3-cyclopropyl-1-pyridin-2-ylpyrazole-4-carboxylic acid is sourced from PubChem (CID 55189272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).