3-(4-pyrrolidin-1-ylphenyl)-1H-pyrazole-5-carboxylic acid

C14H15N3O2 — CID 82380479

IUPAC3-(4-pyrrolidin-1-ylphenyl)-1H-pyrazole-5-carboxylic acid
SMILESO=C(O)c1cc(-c2ccc(N3CCCC3)cc2)n[nH]1
InChIInChI=1S/C14H15N3O2/c18-14(19)13-9-12(15-16-13)10-3-5-11(6-4-10)17-7-1-2-8-17/h3-6,9H,1-2,7-8H2,(H,15,16)(H,18,19)
InChIKeyBPGYVQHWLGHSQX-UHFFFAOYSA-N
MW257.29 g/mol
LogP2.38
Rot. Bonds3

About 3-(4-pyrrolidin-1-ylphenyl)-1H-pyrazole-5-carboxylic acid

3-(4-pyrrolidin-1-ylphenyl)-1H-pyrazole-5-carboxylic acid (PubChem CID 82380479) has the molecular formula C14H15N3O2 and a molecular weight of 257.29 g/mol. Its IUPAC name is 3-(4-pyrrolidin-1-ylphenyl)-1H-pyrazole-5-carboxylic acid.

Molecular Properties

Compound Name3-(4-pyrrolidin-1-ylphenyl)-1H-pyrazole-5-carboxylic acid
PubChem CID82380479
Molecular FormulaC14H15N3O2
Molecular Weight257.29 g/mol
Exact Mass257.12
IUPAC Name3-(4-pyrrolidin-1-ylphenyl)-1H-pyrazole-5-carboxylic acid
SMILESO=C(O)c1cc(-c2ccc(N3CCCC3)cc2)n[nH]1
InChIInChI=1S/C14H15N3O2/c18-14(19)13-9-12(15-16-13)10-3-5-11(6-4-10)17-7-1-2-8-17/h3-6,9H,1-2,7-8H2,(H,15,16)(H,18,19)
InChIKeyBPGYVQHWLGHSQX-UHFFFAOYSA-N
XLogP2.38
TPSA69.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.29
LogP ≤ 52.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

Pyrazole-5-carboxylic acid, 3-phenyl-
CID 121025
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3-benzyl-1H-pyrazole-5-carboxylic acid
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3-(4-methylphenyl)-1H-pyrazole-5-carboxylic acid
CID 818267
3-(4-Fluorophenyl)-1H-pyrazole-5-carboxylic acid
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5-(4-nitrophenyl)-1H-pyrazole-3-carboxylic acid
CID 2771349
5-(2,4-Dimethylphenyl)-1H-pyrazole-3-carboxylic acid
CID 4274816
3-(3,4-dimethylphenyl)-1H-pyrazole-5-carboxylic acid
CID 4598704
5-(1-methyl-1H-pyrazol-4-yl)-1H-pyrazole-3-carboxylic acid
CID 3161119
5-(4-tert-butylphenyl)-1H-pyrazole-3-carboxylic acid
CID 3350092
3-[4-(3,5-dimethyl-1H-pyrazol-4-yl)piperazin-1-yl]benzoic acid
CID 164879178

Frequently Asked Questions

What is the IUPAC name of 3-(4-pyrrolidin-1-ylphenyl)-1H-pyrazole-5-carboxylic acid?
The IUPAC name of 3-(4-pyrrolidin-1-ylphenyl)-1H-pyrazole-5-carboxylic acid (CID 82380479) is 3-(4-pyrrolidin-1-ylphenyl)-1H-pyrazole-5-carboxylic acid.
What is the SMILES notation for 3-(4-pyrrolidin-1-ylphenyl)-1H-pyrazole-5-carboxylic acid?
The canonical SMILES for 3-(4-pyrrolidin-1-ylphenyl)-1H-pyrazole-5-carboxylic acid is O=C(O)c1cc(-c2ccc(N3CCCC3)cc2)n[nH]1.
What is the InChIKey of 3-(4-pyrrolidin-1-ylphenyl)-1H-pyrazole-5-carboxylic acid?
The InChIKey is BPGYVQHWLGHSQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3O2/c18-14(19)13-9-12(15-16-13)10-3-5-11(6-4-10)17-7-1-2-8-17/h3-6,9H,1-2,7-8H2,(H,15,16)(H,18,19).
What are the key properties of 3-(4-pyrrolidin-1-ylphenyl)-1H-pyrazole-5-carboxylic acid?
3-(4-pyrrolidin-1-ylphenyl)-1H-pyrazole-5-carboxylic acid has a molecular weight of 257.29 g/mol, XLogP of 2.38, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-pyrrolidin-1-ylphenyl)-1H-pyrazole-5-carboxylic acid is sourced from PubChem (CID 82380479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).