3-(2-imidazol-1-yl-4-pyridinyl)-1-propylpyrazole-5-carboxylic acid

C15H15N5O2 — CID 59722821

IUPAC3-(2-imidazol-1-yl-4-pyridinyl)-1-propylpyrazole-5-carboxylic acid
SMILESCCCn1nc(-c2ccnc(-n3ccnc3)c2)cc1C(=O)O
InChIInChI=1S/C15H15N5O2/c1-2-6-20-13(15(21)22)9-12(18-20)11-3-4-17-14(8-11)19-7-5-16-10-19/h3-5,7-10H,2,6H2,1H3,(H,21,22)
InChIKeyFOJKGMSAJOLJMK-UHFFFAOYSA-N
MW297.32 g/mol
LogP2.24
Rot. Bonds5

About 3-(2-imidazol-1-yl-4-pyridinyl)-1-propylpyrazole-5-carboxylic acid

3-(2-imidazol-1-yl-4-pyridinyl)-1-propylpyrazole-5-carboxylic acid (PubChem CID 59722821) has the molecular formula C15H15N5O2 and a molecular weight of 297.32 g/mol. Its IUPAC name is 3-(2-imidazol-1-yl-4-pyridinyl)-1-propylpyrazole-5-carboxylic acid.

Molecular Properties

Compound Name3-(2-imidazol-1-yl-4-pyridinyl)-1-propylpyrazole-5-carboxylic acid
PubChem CID59722821
Molecular FormulaC15H15N5O2
Molecular Weight297.32 g/mol
Exact Mass297.12
IUPAC Name3-(2-imidazol-1-yl-4-pyridinyl)-1-propylpyrazole-5-carboxylic acid
SMILESCCCn1nc(-c2ccnc(-n3ccnc3)c2)cc1C(=O)O
InChIInChI=1S/C15H15N5O2/c1-2-6-20-13(15(21)22)9-12(18-20)11-3-4-17-14(8-11)19-7-5-16-10-19/h3-5,7-10H,2,6H2,1H3,(H,21,22)
InChIKeyFOJKGMSAJOLJMK-UHFFFAOYSA-N
XLogP2.24
TPSA85.83 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.32
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-ethyl-3-pyridin-4-ylpyrazole-5-carboxylic acid
CID 82376222
3-(4-methyl-3-nitrophenyl)-1-propylpyrazole-5-carboxylic acid
CID 84761159
3-(4-methoxy-3-propan-2-ylphenyl)-1-propylpyrazole-5-carboxylic acid
CID 82308466
3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-1-propylpyrazole-5-carboxylic acid
CID 82308463
3-(4-fluoro-3-nitrophenyl)-1-propylpyrazole-5-carboxylic acid
CID 84761156
1-propyl-3-(2,3,5,6-tetramethylphenyl)pyrazole-5-carboxylic acid
CID 82307645
3-(2,4-dichlorophenyl)-1-propylpyrazole-5-carboxylic acid
CID 84761141
[4-(6-imidazol-1-ylpyrimidin-4-yl)piperazin-1-yl]-(1-methyl-3-phenylpyrazol-5-yl)methanone
CID 122338214
1-(2-fluoroethyl)-3-pyridin-3-ylpyrazole-5-carboxylic acid
CID 121210795
1-(cyanomethyl)-3-pyridin-4-ylpyrazole-5-carboxylic acid
CID 121210878
N-(4-ethylphenyl)-2-imidazol-1-ylpyridine-4-carboxamide
CID 87010836
N-(1-hydroxypentan-3-yl)-2-imidazol-1-ylpyridine-4-carboxamide
CID 109478737

Frequently Asked Questions

What is the IUPAC name of 3-(2-imidazol-1-yl-4-pyridinyl)-1-propylpyrazole-5-carboxylic acid?
The IUPAC name of 3-(2-imidazol-1-yl-4-pyridinyl)-1-propylpyrazole-5-carboxylic acid (CID 59722821) is 3-(2-imidazol-1-yl-4-pyridinyl)-1-propylpyrazole-5-carboxylic acid.
What is the SMILES notation for 3-(2-imidazol-1-yl-4-pyridinyl)-1-propylpyrazole-5-carboxylic acid?
The canonical SMILES for 3-(2-imidazol-1-yl-4-pyridinyl)-1-propylpyrazole-5-carboxylic acid is CCCn1nc(-c2ccnc(-n3ccnc3)c2)cc1C(=O)O.
What is the InChIKey of 3-(2-imidazol-1-yl-4-pyridinyl)-1-propylpyrazole-5-carboxylic acid?
The InChIKey is FOJKGMSAJOLJMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N5O2/c1-2-6-20-13(15(21)22)9-12(18-20)11-3-4-17-14(8-11)19-7-5-16-10-19/h3-5,7-10H,2,6H2,1H3,(H,21,22).
What are the key properties of 3-(2-imidazol-1-yl-4-pyridinyl)-1-propylpyrazole-5-carboxylic acid?
3-(2-imidazol-1-yl-4-pyridinyl)-1-propylpyrazole-5-carboxylic acid has a molecular weight of 297.32 g/mol, XLogP of 2.24, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-imidazol-1-yl-4-pyridinyl)-1-propylpyrazole-5-carboxylic acid is sourced from PubChem (CID 59722821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).