3-[(1-phenylpyrazol-3-yl)methyl]pyrrolidine-3-carboxylic acid

C15H17N3O2 — CID 79425515

IUPAC3-[(1-phenylpyrazol-3-yl)methyl]pyrrolidine-3-carboxylic acid
SMILESO=C(O)C1(Cc2ccn(-c3ccccc3)n2)CCNC1
InChIInChI=1S/C15H17N3O2/c19-14(20)15(7-8-16-11-15)10-12-6-9-18(17-12)13-4-2-1-3-5-13/h1-6,9,16H,7-8,10-11H2,(H,19,20)
InChIKeyCEWTVYGNZIUMIG-UHFFFAOYSA-N
MW271.32 g/mol
LogP1.48
Rot. Bonds4

About 3-[(1-phenylpyrazol-3-yl)methyl]pyrrolidine-3-carboxylic acid

3-[(1-phenylpyrazol-3-yl)methyl]pyrrolidine-3-carboxylic acid (PubChem CID 79425515) has the molecular formula C15H17N3O2 and a molecular weight of 271.32 g/mol. Its IUPAC name is 3-[(1-phenylpyrazol-3-yl)methyl]pyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name3-[(1-phenylpyrazol-3-yl)methyl]pyrrolidine-3-carboxylic acid
PubChem CID79425515
Molecular FormulaC15H17N3O2
Molecular Weight271.32 g/mol
Exact Mass271.13
IUPAC Name3-[(1-phenylpyrazol-3-yl)methyl]pyrrolidine-3-carboxylic acid
SMILESO=C(O)C1(Cc2ccn(-c3ccccc3)n2)CCNC1
InChIInChI=1S/C15H17N3O2/c19-14(20)15(7-8-16-11-15)10-12-6-9-18(17-12)13-4-2-1-3-5-13/h1-6,9,16H,7-8,10-11H2,(H,19,20)
InChIKeyCEWTVYGNZIUMIG-UHFFFAOYSA-N
XLogP1.48
TPSA67.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.32
LogP ≤ 51.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-amino-3-(1-phenyl-1H-pyrazol-4-yl)propanoic acid
CID 24705270
3-(N-phenylpyrazol-3-yl)pyruvic acid
CID 129872270
2-[1-[2-Oxo-2-[4-[3-(trifluoromethyl)pyrazol-1-yl]anilino]ethyl]cyclopentyl]acetic acid
CID 4050115
[(1S)-1-carboxy-2-(1-phenylpyrazol-3-yl)ethyl]azanium;2,2,2-trifluoroacetate
CID 10641224
[(1S)-1-carboxy-2-(2-phenylpyrazol-3-yl)ethyl]azanium;2,2,2-trifluoroacetate
CID 10665186
2-(Aminomethyl)-2-(3-fluorophenyl)-3-(1-methylpyrazol-3-yl)propanoic acid
CID 106490493
2-(Aminomethyl)-2-(2-fluorophenyl)-3-(1-methylpyrazol-3-yl)propanoic acid
CID 106490653
2-(Aminomethyl)-2-(4-fluorophenyl)-3-(1-methylpyrazol-3-yl)propanoic acid
CID 106490986
2-(3-Ethyl-1-methylpyrazol-4-yl)-2-(4-fluoroanilino)acetic acid
CID 115990150
2-(3-Ethyl-1-methylpyrazol-4-yl)-2-(3-fluoroanilino)acetic acid
CID 115990180
2-(3-Ethyl-1-methylpyrazol-4-yl)-2-(2-fluoroanilino)acetic acid
CID 115990187
3-[1-(2-Fluorophenyl)pyrazol-3-yl]propanoic acid
CID 116818168

Frequently Asked Questions

What is the IUPAC name of 3-[(1-phenylpyrazol-3-yl)methyl]pyrrolidine-3-carboxylic acid?
The IUPAC name of 3-[(1-phenylpyrazol-3-yl)methyl]pyrrolidine-3-carboxylic acid (CID 79425515) is 3-[(1-phenylpyrazol-3-yl)methyl]pyrrolidine-3-carboxylic acid.
What is the SMILES notation for 3-[(1-phenylpyrazol-3-yl)methyl]pyrrolidine-3-carboxylic acid?
The canonical SMILES for 3-[(1-phenylpyrazol-3-yl)methyl]pyrrolidine-3-carboxylic acid is O=C(O)C1(Cc2ccn(-c3ccccc3)n2)CCNC1.
What is the InChIKey of 3-[(1-phenylpyrazol-3-yl)methyl]pyrrolidine-3-carboxylic acid?
The InChIKey is CEWTVYGNZIUMIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O2/c19-14(20)15(7-8-16-11-15)10-12-6-9-18(17-12)13-4-2-1-3-5-13/h1-6,9,16H,7-8,10-11H2,(H,19,20).
What are the key properties of 3-[(1-phenylpyrazol-3-yl)methyl]pyrrolidine-3-carboxylic acid?
3-[(1-phenylpyrazol-3-yl)methyl]pyrrolidine-3-carboxylic acid has a molecular weight of 271.32 g/mol, XLogP of 1.48, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(1-phenylpyrazol-3-yl)methyl]pyrrolidine-3-carboxylic acid is sourced from PubChem (CID 79425515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).