2-[3,5-diethyl-1-(naphthalen-2-ylmethyl)pyrazol-4-yl]acetic acid

C20H22N2O2 — CID 70685804

IUPAC2-[3,5-diethyl-1-(naphthalen-2-ylmethyl)pyrazol-4-yl]acetic acid
SMILESCCc1nn(Cc2ccc3ccccc3c2)c(CC)c1CC(=O)O
InChIInChI=1S/C20H22N2O2/c1-3-18-17(12-20(23)24)19(4-2)22(21-18)13-14-9-10-15-7-5-6-8-16(15)11-14/h5-11H,3-4,12-13H2,1-2H3,(H,23,24)
InChIKeyFNSPOFPMEJRIFH-UHFFFAOYSA-N
MW322.41 g/mol
LogP3.84
Rot. Bonds6

About 2-[3,5-diethyl-1-(naphthalen-2-ylmethyl)pyrazol-4-yl]acetic acid

2-[3,5-diethyl-1-(naphthalen-2-ylmethyl)pyrazol-4-yl]acetic acid (PubChem CID 70685804) has the molecular formula C20H22N2O2 and a molecular weight of 322.41 g/mol. Its IUPAC name is 2-[3,5-diethyl-1-(naphthalen-2-ylmethyl)pyrazol-4-yl]acetic acid.

Molecular Properties

Compound Name2-[3,5-diethyl-1-(naphthalen-2-ylmethyl)pyrazol-4-yl]acetic acid
PubChem CID70685804
Molecular FormulaC20H22N2O2
Molecular Weight322.41 g/mol
Exact Mass322.17
IUPAC Name2-[3,5-diethyl-1-(naphthalen-2-ylmethyl)pyrazol-4-yl]acetic acid
SMILESCCc1nn(Cc2ccc3ccccc3c2)c(CC)c1CC(=O)O
InChIInChI=1S/C20H22N2O2/c1-3-18-17(12-20(23)24)19(4-2)22(21-18)13-14-9-10-15-7-5-6-8-16(15)11-14/h5-11H,3-4,12-13H2,1-2H3,(H,23,24)
InChIKeyFNSPOFPMEJRIFH-UHFFFAOYSA-N
XLogP3.84
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.41
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3,4,5-Triphenyl-1H-pyrazole-1-nonanoic acid
CID 131814
2-[1-[(2-Benzylphenyl)methyl]-5-methyl-3-phenylpyrazol-4-yl]acetic acid
CID 67608154
2-[3,5-Dimethyl-1-[[2-methyl-4-(naphthalene-2-carbonylamino)phenyl]methyl]pyrazol-4-yl]acetic acid
CID 58071679
2-[3,5-Diethyl-1-[[4-(naphthalene-2-carbonylamino)phenyl]methyl]pyrazol-4-yl]acetic acid
CID 58071689
2-[3,5-Diethyl-1-[[4-(5,6,7,8-tetrahydronaphthalene-1-carbonylamino)phenyl]methyl]pyrazol-4-yl]acetic acid
CID 58071719
2-[1-[[4-(Naphthalene-2-carbonylamino)phenyl]methyl]-5-propan-2-yl-3-propylpyrazol-4-yl]acetic acid
CID 58071784
2-[3,5-Diethyl-4-(naphthalen-2-ylmethyl)pyrazol-1-yl]acetic acid
CID 70681543
8-(3,4,5-Triphenylpyrazol-1-yl)octanoic acid
CID 15725725
3,4,5-triphenyl-1H-pyrazole-1-decanoic acid
CID 15725726
2-[5-Methyl-3-phenyl-1-[(2-phenylphenyl)methyl]pyrazol-4-yl]acetic acid
CID 67607174
2-[1-[(2-Benzoylphenyl)methyl]-5-methyl-3-phenylpyrazol-4-yl]acetic acid
CID 67607274
2-[1-[[4-[(2,4-Dimethylbenzoyl)amino]phenyl]methyl]-3,5-diethylpyrazol-4-yl]acetic acid
CID 53345927

Frequently Asked Questions

What is the IUPAC name of 2-[3,5-diethyl-1-(naphthalen-2-ylmethyl)pyrazol-4-yl]acetic acid?
The IUPAC name of 2-[3,5-diethyl-1-(naphthalen-2-ylmethyl)pyrazol-4-yl]acetic acid (CID 70685804) is 2-[3,5-diethyl-1-(naphthalen-2-ylmethyl)pyrazol-4-yl]acetic acid.
What is the SMILES notation for 2-[3,5-diethyl-1-(naphthalen-2-ylmethyl)pyrazol-4-yl]acetic acid?
The canonical SMILES for 2-[3,5-diethyl-1-(naphthalen-2-ylmethyl)pyrazol-4-yl]acetic acid is CCc1nn(Cc2ccc3ccccc3c2)c(CC)c1CC(=O)O.
What is the InChIKey of 2-[3,5-diethyl-1-(naphthalen-2-ylmethyl)pyrazol-4-yl]acetic acid?
The InChIKey is FNSPOFPMEJRIFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N2O2/c1-3-18-17(12-20(23)24)19(4-2)22(21-18)13-14-9-10-15-7-5-6-8-16(15)11-14/h5-11H,3-4,12-13H2,1-2H3,(H,23,24).
What are the key properties of 2-[3,5-diethyl-1-(naphthalen-2-ylmethyl)pyrazol-4-yl]acetic acid?
2-[3,5-diethyl-1-(naphthalen-2-ylmethyl)pyrazol-4-yl]acetic acid has a molecular weight of 322.41 g/mol, XLogP of 3.84, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3,5-diethyl-1-(naphthalen-2-ylmethyl)pyrazol-4-yl]acetic acid is sourced from PubChem (CID 70685804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).