2-[1-[(4-phenylpyrazol-1-yl)methyl]cyclopropyl]acetic acid

C15H16N2O2 — CID 65498246

IUPAC2-[1-[(4-phenylpyrazol-1-yl)methyl]cyclopropyl]acetic acid
SMILESO=C(O)CC1(Cn2cc(-c3ccccc3)cn2)CC1
InChIInChI=1S/C15H16N2O2/c18-14(19)8-15(6-7-15)11-17-10-13(9-16-17)12-4-2-1-3-5-12/h1-5,9-10H,6-8,11H2,(H,18,19)
InChIKeyQQAXBGSJQLPXLA-UHFFFAOYSA-N
MW256.31 g/mol
LogP2.81
Rot. Bonds5

About 2-[1-[(4-phenylpyrazol-1-yl)methyl]cyclopropyl]acetic acid

2-[1-[(4-phenylpyrazol-1-yl)methyl]cyclopropyl]acetic acid (PubChem CID 65498246) has the molecular formula C15H16N2O2 and a molecular weight of 256.31 g/mol. Its IUPAC name is 2-[1-[(4-phenylpyrazol-1-yl)methyl]cyclopropyl]acetic acid.

Molecular Properties

Compound Name2-[1-[(4-phenylpyrazol-1-yl)methyl]cyclopropyl]acetic acid
PubChem CID65498246
Molecular FormulaC15H16N2O2
Molecular Weight256.31 g/mol
Exact Mass256.12
IUPAC Name2-[1-[(4-phenylpyrazol-1-yl)methyl]cyclopropyl]acetic acid
SMILESO=C(O)CC1(Cn2cc(-c3ccccc3)cn2)CC1
InChIInChI=1S/C15H16N2O2/c18-14(19)8-15(6-7-15)11-17-10-13(9-16-17)12-4-2-1-3-5-12/h1-5,9-10H,6-8,11H2,(H,18,19)
InChIKeyQQAXBGSJQLPXLA-UHFFFAOYSA-N
XLogP2.81
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.31
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[1-[(4-phenylpyrazol-1-yl)methyl]cyclopropyl]acetic acid?
The IUPAC name of 2-[1-[(4-phenylpyrazol-1-yl)methyl]cyclopropyl]acetic acid (CID 65498246) is 2-[1-[(4-phenylpyrazol-1-yl)methyl]cyclopropyl]acetic acid.
What is the SMILES notation for 2-[1-[(4-phenylpyrazol-1-yl)methyl]cyclopropyl]acetic acid?
The canonical SMILES for 2-[1-[(4-phenylpyrazol-1-yl)methyl]cyclopropyl]acetic acid is O=C(O)CC1(Cn2cc(-c3ccccc3)cn2)CC1.
What is the InChIKey of 2-[1-[(4-phenylpyrazol-1-yl)methyl]cyclopropyl]acetic acid?
The InChIKey is QQAXBGSJQLPXLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O2/c18-14(19)8-15(6-7-15)11-17-10-13(9-16-17)12-4-2-1-3-5-12/h1-5,9-10H,6-8,11H2,(H,18,19).
What are the key properties of 2-[1-[(4-phenylpyrazol-1-yl)methyl]cyclopropyl]acetic acid?
2-[1-[(4-phenylpyrazol-1-yl)methyl]cyclopropyl]acetic acid has a molecular weight of 256.31 g/mol, XLogP of 2.81, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(4-phenylpyrazol-1-yl)methyl]cyclopropyl]acetic acid is sourced from PubChem (CID 65498246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).