4-(3-ethyl-5,6-dihydro-4H-pyrrolo[2,3-c]pyrazol-1-yl)benzoic acid

C14H15N3O2 — CID 3676232

IUPAC4-(3-ethyl-5,6-dihydro-4H-pyrrolo[2,3-c]pyrazol-1-yl)benzoic acid
SMILESCCc1nn(-c2ccc(C(=O)O)cc2)c2c1CCN2
InChIInChI=1S/C14H15N3O2/c1-2-12-11-7-8-15-13(11)17(16-12)10-5-3-9(4-6-10)14(18)19/h3-6,15H,2,7-8H2,1H3,(H,18,19)
InChIKeyUCWGWRKWOQOMOD-UHFFFAOYSA-N
MW257.29 g/mol
LogP2.10
Rot. Bonds3

About 4-(3-ethyl-5,6-dihydro-4H-pyrrolo[2,3-c]pyrazol-1-yl)benzoic acid

4-(3-ethyl-5,6-dihydro-4H-pyrrolo[2,3-c]pyrazol-1-yl)benzoic acid (PubChem CID 3676232) has the molecular formula C14H15N3O2 and a molecular weight of 257.29 g/mol. Its IUPAC name is 4-(3-ethyl-5,6-dihydro-4H-pyrrolo[2,3-c]pyrazol-1-yl)benzoic acid.

Molecular Properties

Compound Name4-(3-ethyl-5,6-dihydro-4H-pyrrolo[2,3-c]pyrazol-1-yl)benzoic acid
PubChem CID3676232
Molecular FormulaC14H15N3O2
Molecular Weight257.29 g/mol
Exact Mass257.12
IUPAC Name4-(3-ethyl-5,6-dihydro-4H-pyrrolo[2,3-c]pyrazol-1-yl)benzoic acid
SMILESCCc1nn(-c2ccc(C(=O)O)cc2)c2c1CCN2
InChIInChI=1S/C14H15N3O2/c1-2-12-11-7-8-15-13(11)17(16-12)10-5-3-9(4-6-10)14(18)19/h3-6,15H,2,7-8H2,1H3,(H,18,19)
InChIKeyUCWGWRKWOQOMOD-UHFFFAOYSA-N
XLogP2.10
TPSA67.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.29
LogP ≤ 52.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-ethyl-1-(4-ethylphenyl)-5,6-dihydro-4H-pyrrolo[2,3-c]pyrazole
CID 4209928
3-ethyl-1-(4-fluorophenyl)-5,6-dihydro-4H-pyrrolo[2,3-c]pyrazole
CID 3318390
3-ethyl-1-[4-(trifluoromethyl)phenyl]-5,6-dihydro-4H-pyrrolo[2,3-c]pyrazole
CID 4268812
1-(4-methylphenyl)-3-propyl-5,6-dihydro-4H-pyrrolo[2,3-c]pyrazole
CID 5134977
1-(4-bromophenyl)-3-propyl-5,6-dihydro-4H-pyrrolo[2,3-c]pyrazole
CID 4270027
1-(4-chlorophenyl)-3-propyl-5,6-dihydro-4H-pyrrolo[2,3-c]pyrazole
CID 3930780
1-(4-ethylphenyl)-3-(methoxymethyl)-5,6-dihydro-4H-pyrrolo[2,3-c]pyrazole
CID 3260170
3-butyl-1-(4-fluorophenyl)-5,6-dihydro-4H-pyrrolo[2,3-c]pyrazole
CID 5018140
1-(4-bromophenyl)-3-(2-ethoxyethyl)-5,6-dihydro-4H-pyrrolo[2,3-c]pyrazole
CID 5223795
4-(3-ethyl-5,6,7,8-tetrahydro-4H-pyrazolo[3,4-b]azepin-1-yl)benzonitrile
CID 4587072
4-(3-propan-2-yl-5,6,7,8-tetrahydro-4H-pyrazolo[5,4-b]azepin-1-yl)benzoic acid
CID 5137661
4-[3-[3-(dimethylamino)phenyl]-5,6-dihydro-4H-pyrrolo[3,2-d]pyrazol-1-yl]benzoic acid
CID 5204838

Frequently Asked Questions

What is the IUPAC name of 4-(3-ethyl-5,6-dihydro-4H-pyrrolo[2,3-c]pyrazol-1-yl)benzoic acid?
The IUPAC name of 4-(3-ethyl-5,6-dihydro-4H-pyrrolo[2,3-c]pyrazol-1-yl)benzoic acid (CID 3676232) is 4-(3-ethyl-5,6-dihydro-4H-pyrrolo[2,3-c]pyrazol-1-yl)benzoic acid.
What is the SMILES notation for 4-(3-ethyl-5,6-dihydro-4H-pyrrolo[2,3-c]pyrazol-1-yl)benzoic acid?
The canonical SMILES for 4-(3-ethyl-5,6-dihydro-4H-pyrrolo[2,3-c]pyrazol-1-yl)benzoic acid is CCc1nn(-c2ccc(C(=O)O)cc2)c2c1CCN2.
What is the InChIKey of 4-(3-ethyl-5,6-dihydro-4H-pyrrolo[2,3-c]pyrazol-1-yl)benzoic acid?
The InChIKey is UCWGWRKWOQOMOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3O2/c1-2-12-11-7-8-15-13(11)17(16-12)10-5-3-9(4-6-10)14(18)19/h3-6,15H,2,7-8H2,1H3,(H,18,19).
What are the key properties of 4-(3-ethyl-5,6-dihydro-4H-pyrrolo[2,3-c]pyrazol-1-yl)benzoic acid?
4-(3-ethyl-5,6-dihydro-4H-pyrrolo[2,3-c]pyrazol-1-yl)benzoic acid has a molecular weight of 257.29 g/mol, XLogP of 2.10, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-ethyl-5,6-dihydro-4H-pyrrolo[2,3-c]pyrazol-1-yl)benzoic acid is sourced from PubChem (CID 3676232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).