2-[4-(4-cyclopropyl-1-methyl-6-oxo-3-pyridinyl)pyrazol-1-yl]benzoic acid

C19H17N3O3 — CID 135355144

IUPAC2-[4-(4-cyclopropyl-1-methyl-6-oxo-3-pyridinyl)pyrazol-1-yl]benzoic acid
SMILESCn1cc(-c2cnn(-c3ccccc3C(=O)O)c2)c(C2CC2)cc1=O
InChIInChI=1S/C19H17N3O3/c1-21-11-16(15(8-18(21)23)12-6-7-12)13-9-20-22(10-13)17-5-3-2-4-14(17)19(24)25/h2-5,8-12H,6-7H2,1H3,(H,24,25)
InChIKeyOMTHOOCECNRGEV-UHFFFAOYSA-N
MW335.36 g/mol
LogP2.81
Rot. Bonds4

About 2-[4-(4-cyclopropyl-1-methyl-6-oxo-3-pyridinyl)pyrazol-1-yl]benzoic acid

2-[4-(4-cyclopropyl-1-methyl-6-oxo-3-pyridinyl)pyrazol-1-yl]benzoic acid (PubChem CID 135355144) has the molecular formula C19H17N3O3 and a molecular weight of 335.36 g/mol. Its IUPAC name is 2-[4-(4-cyclopropyl-1-methyl-6-oxo-3-pyridinyl)pyrazol-1-yl]benzoic acid.

Molecular Properties

Compound Name2-[4-(4-cyclopropyl-1-methyl-6-oxo-3-pyridinyl)pyrazol-1-yl]benzoic acid
PubChem CID135355144
Molecular FormulaC19H17N3O3
Molecular Weight335.36 g/mol
Exact Mass335.13
IUPAC Name2-[4-(4-cyclopropyl-1-methyl-6-oxo-3-pyridinyl)pyrazol-1-yl]benzoic acid
SMILESCn1cc(-c2cnn(-c3ccccc3C(=O)O)c2)c(C2CC2)cc1=O
InChIInChI=1S/C19H17N3O3/c1-21-11-16(15(8-18(21)23)12-6-7-12)13-9-20-22(10-13)17-5-3-2-4-14(17)19(24)25/h2-5,8-12H,6-7H2,1H3,(H,24,25)
InChIKeyOMTHOOCECNRGEV-UHFFFAOYSA-N
XLogP2.81
TPSA77.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.36
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(4-cyclopropyl-1-methyl-6-oxo-3-pyridinyl)pyrazol-1-yl]benzoic acid?
The IUPAC name of 2-[4-(4-cyclopropyl-1-methyl-6-oxo-3-pyridinyl)pyrazol-1-yl]benzoic acid (CID 135355144) is 2-[4-(4-cyclopropyl-1-methyl-6-oxo-3-pyridinyl)pyrazol-1-yl]benzoic acid.
What is the SMILES notation for 2-[4-(4-cyclopropyl-1-methyl-6-oxo-3-pyridinyl)pyrazol-1-yl]benzoic acid?
The canonical SMILES for 2-[4-(4-cyclopropyl-1-methyl-6-oxo-3-pyridinyl)pyrazol-1-yl]benzoic acid is Cn1cc(-c2cnn(-c3ccccc3C(=O)O)c2)c(C2CC2)cc1=O.
What is the InChIKey of 2-[4-(4-cyclopropyl-1-methyl-6-oxo-3-pyridinyl)pyrazol-1-yl]benzoic acid?
The InChIKey is OMTHOOCECNRGEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N3O3/c1-21-11-16(15(8-18(21)23)12-6-7-12)13-9-20-22(10-13)17-5-3-2-4-14(17)19(24)25/h2-5,8-12H,6-7H2,1H3,(H,24,25).
What are the key properties of 2-[4-(4-cyclopropyl-1-methyl-6-oxo-3-pyridinyl)pyrazol-1-yl]benzoic acid?
2-[4-(4-cyclopropyl-1-methyl-6-oxo-3-pyridinyl)pyrazol-1-yl]benzoic acid has a molecular weight of 335.36 g/mol, XLogP of 2.81, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(4-cyclopropyl-1-methyl-6-oxo-3-pyridinyl)pyrazol-1-yl]benzoic acid is sourced from PubChem (CID 135355144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).