1-[(5-chloro-2-phenylpyrazolo[1,5-a]pyridin-7-yl)methyl]-5-propylpyrazole-3-carboxylic acid

C21H19ClN4O2 — CID 72950605

IUPAC1-[(5-chloro-2-phenylpyrazolo[1,5-a]pyridin-7-yl)methyl]-5-propylpyrazole-3-carboxylic acid
SMILESCCCc1cc(C(=O)O)nn1Cc1cc(Cl)cc2cc(-c3ccccc3)nn12
InChIInChI=1S/C21H19ClN4O2/c1-2-6-16-11-20(21(27)28)23-25(16)13-18-10-15(22)9-17-12-19(24-26(17)18)14-7-4-3-5-8-14/h3-5,7-12H,2,6,13H2,1H3,(H,27,28)
InChIKeyUQEKDCOWURSVLN-UHFFFAOYSA-N
MW394.86 g/mol
LogP4.55
Rot. Bonds6

About 1-[(5-chloro-2-phenylpyrazolo[1,5-a]pyridin-7-yl)methyl]-5-propylpyrazole-3-carboxylic acid

1-[(5-chloro-2-phenylpyrazolo[1,5-a]pyridin-7-yl)methyl]-5-propylpyrazole-3-carboxylic acid (PubChem CID 72950605) has the molecular formula C21H19ClN4O2 and a molecular weight of 394.86 g/mol. Its IUPAC name is 1-[(5-chloro-2-phenylpyrazolo[1,5-a]pyridin-7-yl)methyl]-5-propylpyrazole-3-carboxylic acid.

Molecular Properties

Compound Name1-[(5-chloro-2-phenylpyrazolo[1,5-a]pyridin-7-yl)methyl]-5-propylpyrazole-3-carboxylic acid
PubChem CID72950605
Molecular FormulaC21H19ClN4O2
Molecular Weight394.86 g/mol
Exact Mass394.12
IUPAC Name1-[(5-chloro-2-phenylpyrazolo[1,5-a]pyridin-7-yl)methyl]-5-propylpyrazole-3-carboxylic acid
SMILESCCCc1cc(C(=O)O)nn1Cc1cc(Cl)cc2cc(-c3ccccc3)nn12
InChIInChI=1S/C21H19ClN4O2/c1-2-6-16-11-20(21(27)28)23-25(16)13-18-10-15(22)9-17-12-19(24-26(17)18)14-7-4-3-5-8-14/h3-5,7-12H,2,6,13H2,1H3,(H,27,28)
InChIKeyUQEKDCOWURSVLN-UHFFFAOYSA-N
XLogP4.55
TPSA72.42 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.86
LogP ≤ 54.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-[(5-chloro-2-phenylpyrazolo[1,5-a]pyridin-7-yl)methyl]-5-propylpyrazole-3-carboxylic acid with MolForge

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Related Compounds

Lonidamine
CID 39562
Tolnidamine
CID 68679
1-((4-Chlorophenyl)methyl)-1H-indazole-3-carboxylic acid
CID 100493
3-[(6-Chloro-2-phenylpyrazolo[1,5-a]pyridin-3-yl)methyl]benzoic acid
CID 60151013
6-[(6-Chloro-2-phenylpyrazolo[1,5-a]pyridin-3-yl)methyl]pyridine-2-carboxylic acid
CID 60151147
6-[(2-Phenyl-6-vinylpyrazolo[1,5-a]pyridin-3-yl)methyl]pyridine-2-carboxylic acid
CID 60151150
6-[(6-Methyl-2-phenylpyrazolo[1,5-a]pyridin-3-yl)methyl]pyridine-2-carboxylic acid
CID 60151153
6-[(2-Tert-butyl-6-chloropyrazolo[1,5-a]pyridin-3-yl)methyl]pyridine-2-carboxylic acid
CID 60151420
6-[[6-Chloro-2-(3-chlorophenyl)pyrazolo[1,5-a]pyridin-3-yl]methyl]pyridine-2-carboxylic acid
CID 68184172
1-[(5-Chloro-2-phenylpyrazolo[1,5-a]pyridin-7-yl)methyl]-5-methylpyrazole-3-carboxylic acid
CID 72722417
5-Methyl-1-[(2-phenylpyrazolo[1,5-a]pyridin-7-yl)methyl]pyrazole-3-carboxylic acid
CID 72950439
1-[(5-Chloro-2-cyclohexylpyrazolo[1,5-a]pyridin-7-yl)methyl]-5-methylpyrazole-3-carboxylic acid
CID 72950602

Frequently Asked Questions

What is the IUPAC name of 1-[(5-chloro-2-phenylpyrazolo[1,5-a]pyridin-7-yl)methyl]-5-propylpyrazole-3-carboxylic acid?
The IUPAC name of 1-[(5-chloro-2-phenylpyrazolo[1,5-a]pyridin-7-yl)methyl]-5-propylpyrazole-3-carboxylic acid (CID 72950605) is 1-[(5-chloro-2-phenylpyrazolo[1,5-a]pyridin-7-yl)methyl]-5-propylpyrazole-3-carboxylic acid.
What is the SMILES notation for 1-[(5-chloro-2-phenylpyrazolo[1,5-a]pyridin-7-yl)methyl]-5-propylpyrazole-3-carboxylic acid?
The canonical SMILES for 1-[(5-chloro-2-phenylpyrazolo[1,5-a]pyridin-7-yl)methyl]-5-propylpyrazole-3-carboxylic acid is CCCc1cc(C(=O)O)nn1Cc1cc(Cl)cc2cc(-c3ccccc3)nn12.
What is the InChIKey of 1-[(5-chloro-2-phenylpyrazolo[1,5-a]pyridin-7-yl)methyl]-5-propylpyrazole-3-carboxylic acid?
The InChIKey is UQEKDCOWURSVLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19ClN4O2/c1-2-6-16-11-20(21(27)28)23-25(16)13-18-10-15(22)9-17-12-19(24-26(17)18)14-7-4-3-5-8-14/h3-5,7-12H,2,6,13H2,1H3,(H,27,28).
What are the key properties of 1-[(5-chloro-2-phenylpyrazolo[1,5-a]pyridin-7-yl)methyl]-5-propylpyrazole-3-carboxylic acid?
1-[(5-chloro-2-phenylpyrazolo[1,5-a]pyridin-7-yl)methyl]-5-propylpyrazole-3-carboxylic acid has a molecular weight of 394.86 g/mol, XLogP of 4.55, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(5-chloro-2-phenylpyrazolo[1,5-a]pyridin-7-yl)methyl]-5-propylpyrazole-3-carboxylic acid is sourced from PubChem (CID 72950605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).