2,3-dihydro-1H-pyrazole;pyridine-4-carboxylic acid

C9H11N3O2 — CID 160715808

IUPAC2,3-dihydro-1H-pyrazole;pyridine-4-carboxylic acid
SMILESC1=CNNC1.O=C(O)c1ccncc1
InChIInChI=1S/C6H5NO2.C3H6N2/c8-6(9)5-1-3-7-4-2-5;1-2-4-5-3-1/h1-4H,(H,8,9);1-2,4-5H,3H2
InChIKeyRSLMZOKLXQOZJR-UHFFFAOYSA-N
MW193.21 g/mol
LogP0.39
Rot. Bonds1

About 2,3-dihydro-1H-pyrazole;pyridine-4-carboxylic acid

2,3-dihydro-1H-pyrazole;pyridine-4-carboxylic acid (PubChem CID 160715808) has the molecular formula C9H11N3O2 and a molecular weight of 193.21 g/mol. Its IUPAC name is 2,3-dihydro-1H-pyrazole;pyridine-4-carboxylic acid.

Molecular Properties

Compound Name2,3-dihydro-1H-pyrazole;pyridine-4-carboxylic acid
PubChem CID160715808
Molecular FormulaC9H11N3O2
Molecular Weight193.21 g/mol
Exact Mass193.09
IUPAC Name2,3-dihydro-1H-pyrazole;pyridine-4-carboxylic acid
SMILESC1=CNNC1.O=C(O)c1ccncc1
InChIInChI=1S/C6H5NO2.C3H6N2/c8-6(9)5-1-3-7-4-2-5;1-2-4-5-3-1/h1-4H,(H,8,9);1-2,4-5H,3H2
InChIKeyRSLMZOKLXQOZJR-UHFFFAOYSA-N
XLogP0.39
TPSA74.25 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.21
LogP ≤ 50.39
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

copper;2,3-dihydro-1H-pyrazole;pyridine-4-carboxylic acid
CID 174256416
hydrazinecarboxylic acid;pyridine-4-carboxylic acid
CID 161178249
pyridine-4-carboxylic acid;triphenylstannane
CID 174749949
terephthalic acid
CID 160582437
copper;bis(4-fluorobenzoate);4-fluorobenzoic acid;bis(pyridine-4-carboxamide)
CID 139081538
4-(pyridine-4-carbothioylamino)benzoic acid
CID 25218867
chromium;terephthalic acid
CID 87187082
bismuthane;terephthalic acid
CID 173299583
terephthalic acid;dihydrofluoride
CID 70485309
pentan-2-one;pyridine-4-carboxylic acid
CID 174864210
pyridine-2-carboxylic acid;pyridine-4-carboxylic acid
CID 70268469
pyridine-4-carboxamide;4-sulfamoylbenzoic acid
CID 139186564

Frequently Asked Questions

What is the IUPAC name of 2,3-dihydro-1H-pyrazole;pyridine-4-carboxylic acid?
The IUPAC name of 2,3-dihydro-1H-pyrazole;pyridine-4-carboxylic acid (CID 160715808) is 2,3-dihydro-1H-pyrazole;pyridine-4-carboxylic acid.
What is the SMILES notation for 2,3-dihydro-1H-pyrazole;pyridine-4-carboxylic acid?
The canonical SMILES for 2,3-dihydro-1H-pyrazole;pyridine-4-carboxylic acid is C1=CNNC1.O=C(O)c1ccncc1.
What is the InChIKey of 2,3-dihydro-1H-pyrazole;pyridine-4-carboxylic acid?
The InChIKey is RSLMZOKLXQOZJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5NO2.C3H6N2/c8-6(9)5-1-3-7-4-2-5;1-2-4-5-3-1/h1-4H,(H,8,9);1-2,4-5H,3H2.
What are the key properties of 2,3-dihydro-1H-pyrazole;pyridine-4-carboxylic acid?
2,3-dihydro-1H-pyrazole;pyridine-4-carboxylic acid has a molecular weight of 193.21 g/mol, XLogP of 0.39, 1 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dihydro-1H-pyrazole;pyridine-4-carboxylic acid is sourced from PubChem (CID 160715808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).