4-chloro-1-(3-pyrazol-1-ylpropyl)pyrrole-2-carboxylic acid

C11H12ClN3O2 — CID 114606546

IUPAC4-chloro-1-(3-pyrazol-1-ylpropyl)pyrrole-2-carboxylic acid
SMILESO=C(O)c1cc(Cl)cn1CCCn1cccn1
InChIInChI=1S/C11H12ClN3O2/c12-9-7-10(11(16)17)14(8-9)4-2-6-15-5-1-3-13-15/h1,3,5,7-8H,2,4,6H2,(H,16,17)
InChIKeyOUUMHFGNTCPIFY-UHFFFAOYSA-N
MW253.69 g/mol
LogP2.13
Rot. Bonds5

About 4-chloro-1-(3-pyrazol-1-ylpropyl)pyrrole-2-carboxylic acid

4-chloro-1-(3-pyrazol-1-ylpropyl)pyrrole-2-carboxylic acid (PubChem CID 114606546) has the molecular formula C11H12ClN3O2 and a molecular weight of 253.69 g/mol. Its IUPAC name is 4-chloro-1-(3-pyrazol-1-ylpropyl)pyrrole-2-carboxylic acid.

Molecular Properties

Compound Name4-chloro-1-(3-pyrazol-1-ylpropyl)pyrrole-2-carboxylic acid
PubChem CID114606546
Molecular FormulaC11H12ClN3O2
Molecular Weight253.69 g/mol
Exact Mass253.06
IUPAC Name4-chloro-1-(3-pyrazol-1-ylpropyl)pyrrole-2-carboxylic acid
SMILESO=C(O)c1cc(Cl)cn1CCCn1cccn1
InChIInChI=1S/C11H12ClN3O2/c12-9-7-10(11(16)17)14(8-9)4-2-6-15-5-1-3-13-15/h1,3,5,7-8H,2,4,6H2,(H,16,17)
InChIKeyOUUMHFGNTCPIFY-UHFFFAOYSA-N
XLogP2.13
TPSA60.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.69
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-chloro-1-(1-pyrazol-1-ylpropan-2-yl)pyrrole-2-carboxylic acid
CID 114604251
2-(3-hydroxypropyl)pyrazole-3-carboxylic acid;3-pyrazol-1-ylpropan-1-ol
CID 165095014
4-chloro-1-(2-methylsulfanylethyl)pyrrole-2-carboxylic acid
CID 114605520
4-chloro-1-(3,3,3-trifluoropropyl)pyrrole-2-carboxylic acid
CID 114605321
4-chloro-1-[2-[ethyl(methyl)amino]ethyl]pyrrole-2-carboxylic acid
CID 114605104
1-ethyl-4-(2-pyrazol-1-ylethylsulfamoyl)pyrrole-2-carboxylic acid
CID 61462573
4-chloro-1-(2,2,2-trifluoroethyl)pyrrole-2-carboxylic acid
CID 114602972
9-pyrazol-1-ylnonanoic acid;hydrate
CID 67940849
4-pyrazol-1-ylbutan-1-ol
CID 43509832
4-chloro-1-[2-(1-methylpiperidin-4-yl)ethyl]pyrrole-2-carboxylic acid
CID 114606965
4-chloro-1-(2,3-dimethylbutyl)pyrrole-2-carboxylic acid
CID 114605686
5-amino-3-chloro-2-(3-pyrazol-1-ylpropylamino)benzoic acid
CID 107196634

Frequently Asked Questions

What is the IUPAC name of 4-chloro-1-(3-pyrazol-1-ylpropyl)pyrrole-2-carboxylic acid?
The IUPAC name of 4-chloro-1-(3-pyrazol-1-ylpropyl)pyrrole-2-carboxylic acid (CID 114606546) is 4-chloro-1-(3-pyrazol-1-ylpropyl)pyrrole-2-carboxylic acid.
What is the SMILES notation for 4-chloro-1-(3-pyrazol-1-ylpropyl)pyrrole-2-carboxylic acid?
The canonical SMILES for 4-chloro-1-(3-pyrazol-1-ylpropyl)pyrrole-2-carboxylic acid is O=C(O)c1cc(Cl)cn1CCCn1cccn1.
What is the InChIKey of 4-chloro-1-(3-pyrazol-1-ylpropyl)pyrrole-2-carboxylic acid?
The InChIKey is OUUMHFGNTCPIFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12ClN3O2/c12-9-7-10(11(16)17)14(8-9)4-2-6-15-5-1-3-13-15/h1,3,5,7-8H,2,4,6H2,(H,16,17).
What are the key properties of 4-chloro-1-(3-pyrazol-1-ylpropyl)pyrrole-2-carboxylic acid?
4-chloro-1-(3-pyrazol-1-ylpropyl)pyrrole-2-carboxylic acid has a molecular weight of 253.69 g/mol, XLogP of 2.13, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-1-(3-pyrazol-1-ylpropyl)pyrrole-2-carboxylic acid is sourced from PubChem (CID 114606546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).