2-(3-naphthalen-2-yl-1-phenylpyrazol-4-yl)acetic acid

C21H16N2O2 — CID 20542687

IUPAC2-(3-naphthalen-2-yl-1-phenylpyrazol-4-yl)acetic acid
SMILESO=C(O)Cc1cn(-c2ccccc2)nc1-c1ccc2ccccc2c1
InChIInChI=1S/C21H16N2O2/c24-20(25)13-18-14-23(19-8-2-1-3-9-19)22-21(18)17-11-10-15-6-4-5-7-16(15)12-17/h1-12,14H,13H2,(H,24,25)
InChIKeyHKKWTHKBRQQKRK-UHFFFAOYSA-N
MW328.37 g/mol
LogP4.32
Rot. Bonds4

About 2-(3-naphthalen-2-yl-1-phenylpyrazol-4-yl)acetic acid

2-(3-naphthalen-2-yl-1-phenylpyrazol-4-yl)acetic acid (PubChem CID 20542687) has the molecular formula C21H16N2O2 and a molecular weight of 328.37 g/mol. Its IUPAC name is 2-(3-naphthalen-2-yl-1-phenylpyrazol-4-yl)acetic acid.

Molecular Properties

Compound Name2-(3-naphthalen-2-yl-1-phenylpyrazol-4-yl)acetic acid
PubChem CID20542687
Molecular FormulaC21H16N2O2
Molecular Weight328.37 g/mol
Exact Mass328.12
IUPAC Name2-(3-naphthalen-2-yl-1-phenylpyrazol-4-yl)acetic acid
SMILESO=C(O)Cc1cn(-c2ccccc2)nc1-c1ccc2ccccc2c1
InChIInChI=1S/C21H16N2O2/c24-20(25)13-18-14-23(19-8-2-1-3-9-19)22-21(18)17-11-10-15-6-4-5-7-16(15)12-17/h1-12,14H,13H2,(H,24,25)
InChIKeyHKKWTHKBRQQKRK-UHFFFAOYSA-N
XLogP4.32
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.37
LogP ≤ 54.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2,6-difluoro-N-[(3-naphthalen-2-yl-1-phenylpyrazol-4-yl)methyl]benzamide
CID 4564606
CID 67048003
CID 67048003
(1,3-diphenylpyrazol-4-yl)methyl naphthalene-2-carboxylate
CID 7697736
(Z)-N,N-diethyl-3-(3-naphthalen-2-yl-1-phenylpyrazol-4-yl)prop-2-enamide
CID 175921342
2-[3-(4-chlorophenyl)-1-(4-methoxyphenyl)pyrazol-4-yl]acetic acid
CID 20542726
2-[[3-(3,4-dimethylphenyl)-1-phenylpyrazol-4-yl]methylsulfanyl]acetic acid
CID 34881763
4-ethyl-3-(4-methoxyphenyl)-1-phenylpyrazole
CID 67740433
2-[3-phenanthren-2-yl-1-[3-(trifluoromethyl)phenyl]pyrazol-4-yl]acetamide
CID 10972315
(Z)-3-(3-naphthalen-2-yl-1-phenylpyrazol-4-yl)-1-piperidin-1-ylprop-2-en-1-one
CID 2423864
N-[[3-(6-methoxynaphthalen-2-yl)-1-phenylpyrazol-4-yl]methyl]-1-phenylmethanamine
CID 1290486
2-[3-(4-chlorophenyl)-1-(4-methylphenyl)pyrazol-4-yl]acetic acid
CID 20542672
4-[4-[(E)-hydrazinylidenemethyl]-3-naphthalen-2-ylpyrazol-1-yl]benzoic acid
CID 177464777

Frequently Asked Questions

What is the IUPAC name of 2-(3-naphthalen-2-yl-1-phenylpyrazol-4-yl)acetic acid?
The IUPAC name of 2-(3-naphthalen-2-yl-1-phenylpyrazol-4-yl)acetic acid (CID 20542687) is 2-(3-naphthalen-2-yl-1-phenylpyrazol-4-yl)acetic acid.
What is the SMILES notation for 2-(3-naphthalen-2-yl-1-phenylpyrazol-4-yl)acetic acid?
The canonical SMILES for 2-(3-naphthalen-2-yl-1-phenylpyrazol-4-yl)acetic acid is O=C(O)Cc1cn(-c2ccccc2)nc1-c1ccc2ccccc2c1.
What is the InChIKey of 2-(3-naphthalen-2-yl-1-phenylpyrazol-4-yl)acetic acid?
The InChIKey is HKKWTHKBRQQKRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16N2O2/c24-20(25)13-18-14-23(19-8-2-1-3-9-19)22-21(18)17-11-10-15-6-4-5-7-16(15)12-17/h1-12,14H,13H2,(H,24,25).
What are the key properties of 2-(3-naphthalen-2-yl-1-phenylpyrazol-4-yl)acetic acid?
2-(3-naphthalen-2-yl-1-phenylpyrazol-4-yl)acetic acid has a molecular weight of 328.37 g/mol, XLogP of 4.32, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-naphthalen-2-yl-1-phenylpyrazol-4-yl)acetic acid is sourced from PubChem (CID 20542687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).