3-[(4-chloroindazol-1-yl)methyl]-1-(3-chloro-2-pyridinyl)pyrazole-5-carboxylic acid

C17H11Cl2N5O2 — CID 167472705

IUPAC3-[(4-chloroindazol-1-yl)methyl]-1-(3-chloro-2-pyridinyl)pyrazole-5-carboxylic acid
SMILESO=C(O)c1cc(Cn2ncc3c(Cl)cccc32)nn1-c1ncccc1Cl
InChIInChI=1S/C17H11Cl2N5O2/c18-12-3-1-5-14-11(12)8-21-23(14)9-10-7-15(17(25)26)24(22-10)16-13(19)4-2-6-20-16/h1-8H,9H2,(H,25,26)
InChIKeyKRHIXDCIMSNPPU-UHFFFAOYSA-N
MW388.21 g/mol
LogP3.67
Rot. Bonds4

About 3-[(4-chloroindazol-1-yl)methyl]-1-(3-chloro-2-pyridinyl)pyrazole-5-carboxylic acid

3-[(4-chloroindazol-1-yl)methyl]-1-(3-chloro-2-pyridinyl)pyrazole-5-carboxylic acid (PubChem CID 167472705) has the molecular formula C17H11Cl2N5O2 and a molecular weight of 388.21 g/mol. Its IUPAC name is 3-[(4-chloroindazol-1-yl)methyl]-1-(3-chloro-2-pyridinyl)pyrazole-5-carboxylic acid.

Molecular Properties

Compound Name3-[(4-chloroindazol-1-yl)methyl]-1-(3-chloro-2-pyridinyl)pyrazole-5-carboxylic acid
PubChem CID167472705
Molecular FormulaC17H11Cl2N5O2
Molecular Weight388.21 g/mol
Exact Mass387.03
IUPAC Name3-[(4-chloroindazol-1-yl)methyl]-1-(3-chloro-2-pyridinyl)pyrazole-5-carboxylic acid
SMILESO=C(O)c1cc(Cn2ncc3c(Cl)cccc32)nn1-c1ncccc1Cl
InChIInChI=1S/C17H11Cl2N5O2/c18-12-3-1-5-14-11(12)8-21-23(14)9-10-7-15(17(25)26)24(22-10)16-13(19)4-2-6-20-16/h1-8H,9H2,(H,25,26)
InChIKeyKRHIXDCIMSNPPU-UHFFFAOYSA-N
XLogP3.67
TPSA85.83 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.21
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-(3-chloro-2-pyridinyl)-3-(hydroxymethyl)pyrazole-5-carboxylic acid
CID 58320703
1-(3-chloro-2-pyridinyl)-3-(nitrosomethyl)pyrazole-5-carboxylic acid
CID 123366023
1-(3-chloro-2-pyridinyl)-3-[[5-(trifluoromethyl)tetrazol-2-yl]methyl]pyrazole-5-carboxylic acid
CID 67289880
1-(3-chloro-2-pyridinyl)-3-[[6-(trifluoromethyl)-3-pyridinyl]methyl]pyrazole-5-carboxylic acid
CID 141425381
1-(3-chloro-2-pyridinyl)-3-formylpyrazole-5-carboxylic acid
CID 118413128
1-(3-chloro-2-pyridinyl)-3-ethoxypyrazole-5-carboxylic acid
CID 90391350
3-[[3,5-bis(trifluoromethyl)-1,5-dihydropyrazol-2-yl]methyl]-1-(3-chloro-2-pyridinyl)pyrazole-5-carboxylic acid
CID 146311948
2-(3-chloro-2-pyridinyl)pyrazole-3-carboxylic acid
CID 66853862
1-(3-chloro-2-pyridinyl)-3-(2,2,2-trifluoroethoxy)pyrazole-5-carboxylic acid
CID 21113385
methyl 3-[[3,5-bis(trifluoromethyl)pyrazol-1-yl]methyl]-1-(3-chloro-2-pyridinyl)pyrazole-5-carboxylate
CID 86638528
ethyl 1-(3-chloro-2-pyridinyl)-3-propylpyrazole-5-carboxylate
CID 70831964
1-[1-(3-chloro-2-pyridinyl)-5-methylpyrazol-3-yl]ethanone
CID 141002934

Frequently Asked Questions

What is the IUPAC name of 3-[(4-chloroindazol-1-yl)methyl]-1-(3-chloro-2-pyridinyl)pyrazole-5-carboxylic acid?
The IUPAC name of 3-[(4-chloroindazol-1-yl)methyl]-1-(3-chloro-2-pyridinyl)pyrazole-5-carboxylic acid (CID 167472705) is 3-[(4-chloroindazol-1-yl)methyl]-1-(3-chloro-2-pyridinyl)pyrazole-5-carboxylic acid.
What is the SMILES notation for 3-[(4-chloroindazol-1-yl)methyl]-1-(3-chloro-2-pyridinyl)pyrazole-5-carboxylic acid?
The canonical SMILES for 3-[(4-chloroindazol-1-yl)methyl]-1-(3-chloro-2-pyridinyl)pyrazole-5-carboxylic acid is O=C(O)c1cc(Cn2ncc3c(Cl)cccc32)nn1-c1ncccc1Cl.
What is the InChIKey of 3-[(4-chloroindazol-1-yl)methyl]-1-(3-chloro-2-pyridinyl)pyrazole-5-carboxylic acid?
The InChIKey is KRHIXDCIMSNPPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11Cl2N5O2/c18-12-3-1-5-14-11(12)8-21-23(14)9-10-7-15(17(25)26)24(22-10)16-13(19)4-2-6-20-16/h1-8H,9H2,(H,25,26).
What are the key properties of 3-[(4-chloroindazol-1-yl)methyl]-1-(3-chloro-2-pyridinyl)pyrazole-5-carboxylic acid?
3-[(4-chloroindazol-1-yl)methyl]-1-(3-chloro-2-pyridinyl)pyrazole-5-carboxylic acid has a molecular weight of 388.21 g/mol, XLogP of 3.67, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-chloroindazol-1-yl)methyl]-1-(3-chloro-2-pyridinyl)pyrazole-5-carboxylic acid is sourced from PubChem (CID 167472705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).