1-(2-pyrazol-1-ylethyl)pyrrole-3-carboxylic acid

C10H11N3O2 — CID 79103703

IUPAC1-(2-pyrazol-1-ylethyl)pyrrole-3-carboxylic acid
SMILESO=C(O)c1ccn(CCn2cccn2)c1
InChIInChI=1S/C10H11N3O2/c14-10(15)9-2-5-12(8-9)6-7-13-4-1-3-11-13/h1-5,8H,6-7H2,(H,14,15)
InChIKeyPXLLYAVJMRHTAJ-UHFFFAOYSA-N
MW205.22 g/mol
LogP1.08
Rot. Bonds4

About 1-(2-pyrazol-1-ylethyl)pyrrole-3-carboxylic acid

1-(2-pyrazol-1-ylethyl)pyrrole-3-carboxylic acid (PubChem CID 79103703) has the molecular formula C10H11N3O2 and a molecular weight of 205.22 g/mol. Its IUPAC name is 1-(2-pyrazol-1-ylethyl)pyrrole-3-carboxylic acid.

Molecular Properties

Compound Name1-(2-pyrazol-1-ylethyl)pyrrole-3-carboxylic acid
PubChem CID79103703
Molecular FormulaC10H11N3O2
Molecular Weight205.22 g/mol
Exact Mass205.09
IUPAC Name1-(2-pyrazol-1-ylethyl)pyrrole-3-carboxylic acid
SMILESO=C(O)c1ccn(CCn2cccn2)c1
InChIInChI=1S/C10H11N3O2/c14-10(15)9-2-5-12(8-9)6-7-13-4-1-3-11-13/h1-5,8H,6-7H2,(H,14,15)
InChIKeyPXLLYAVJMRHTAJ-UHFFFAOYSA-N
XLogP1.08
TPSA60.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.22
LogP ≤ 51.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-propylpyrrole-3-carboxylic acid
CID 70182484
1-(3,3,3-trifluoropropyl)pyrrole-3-carboxylic acid
CID 79103257
1-(3,3-dimethylbutyl)pyrrole-3-carboxylic acid
CID 79103695
1-but-3-ynylpyrrole-3-carboxylic acid
CID 79103604
N-[1-[1-(2-pyrazol-1-ylethyl)pyrrol-3-yl]ethyl]propan-1-amine
CID 79098937
6-(2-pyrazol-1-ylethylsulfanyl)pyridine-3-carboxylic acid
CID 54961724
3-(2-pyrazol-1-ylethylsulfonyl)benzoic acid
CID 61494754
N-propyl-1-[1-(2-pyrazol-1-ylethyl)pyrrol-3-yl]propan-1-amine
CID 79105358
2-(3-hydroxypropyl)pyrazole-3-carboxylic acid;3-pyrazol-1-ylpropan-1-ol
CID 165095014
2-ethyl-1-(2-pyrazol-1-ylethyl)benzimidazole-5-carboxylic acid
CID 61460804
1-(2,2-difluoroethyl)pyrrole-3-carboxylic acid
CID 79103700
1-(2-methylpropyl)pyrrole-3-carboxylic acid
CID 79009204

Frequently Asked Questions

What is the IUPAC name of 1-(2-pyrazol-1-ylethyl)pyrrole-3-carboxylic acid?
The IUPAC name of 1-(2-pyrazol-1-ylethyl)pyrrole-3-carboxylic acid (CID 79103703) is 1-(2-pyrazol-1-ylethyl)pyrrole-3-carboxylic acid.
What is the SMILES notation for 1-(2-pyrazol-1-ylethyl)pyrrole-3-carboxylic acid?
The canonical SMILES for 1-(2-pyrazol-1-ylethyl)pyrrole-3-carboxylic acid is O=C(O)c1ccn(CCn2cccn2)c1.
What is the InChIKey of 1-(2-pyrazol-1-ylethyl)pyrrole-3-carboxylic acid?
The InChIKey is PXLLYAVJMRHTAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N3O2/c14-10(15)9-2-5-12(8-9)6-7-13-4-1-3-11-13/h1-5,8H,6-7H2,(H,14,15).
What are the key properties of 1-(2-pyrazol-1-ylethyl)pyrrole-3-carboxylic acid?
1-(2-pyrazol-1-ylethyl)pyrrole-3-carboxylic acid has a molecular weight of 205.22 g/mol, XLogP of 1.08, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-pyrazol-1-ylethyl)pyrrole-3-carboxylic acid is sourced from PubChem (CID 79103703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).