(1,3-diphenylpyrazol-4-yl)methyl 3-(4-methylphenoxy)propanoate

C26H24N2O3 — CID 7703542

IUPAC(1,3-diphenylpyrazol-4-yl)methyl 3-(4-methylphenoxy)propanoate
SMILESCc1ccc(OCCC(=O)OCc2cn(-c3ccccc3)nc2-c2ccccc2)cc1
InChIInChI=1S/C26H24N2O3/c1-20-12-14-24(15-13-20)30-17-16-25(29)31-19-22-18-28(23-10-6-3-7-11-23)27-26(22)21-8-4-2-5-9-21/h2-15,18H,16-17,19H2,1H3
InChIKeyHNMNQNMXNYIWHA-UHFFFAOYSA-N
MW412.49 g/mol
LogP5.36
Rot. Bonds8

About (1,3-diphenylpyrazol-4-yl)methyl 3-(4-methylphenoxy)propanoate

(1,3-diphenylpyrazol-4-yl)methyl 3-(4-methylphenoxy)propanoate (PubChem CID 7703542) has the molecular formula C26H24N2O3 and a molecular weight of 412.49 g/mol. Its IUPAC name is (1,3-diphenylpyrazol-4-yl)methyl 3-(4-methylphenoxy)propanoate.

Molecular Properties

Compound Name(1,3-diphenylpyrazol-4-yl)methyl 3-(4-methylphenoxy)propanoate
PubChem CID7703542
Molecular FormulaC26H24N2O3
Molecular Weight412.49 g/mol
Exact Mass412.18
IUPAC Name(1,3-diphenylpyrazol-4-yl)methyl 3-(4-methylphenoxy)propanoate
SMILESCc1ccc(OCCC(=O)OCc2cn(-c3ccccc3)nc2-c2ccccc2)cc1
InChIInChI=1S/C26H24N2O3/c1-20-12-14-24(15-13-20)30-17-16-25(29)31-19-22-18-28(23-10-6-3-7-11-23)27-26(22)21-8-4-2-5-9-21/h2-15,18H,16-17,19H2,1H3
InChIKeyHNMNQNMXNYIWHA-UHFFFAOYSA-N
XLogP5.36
TPSA53.35 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500412.49
LogP ≤ 55.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(1,3-diphenylpyrazol-4-yl)methyl 2-methoxyacetate
CID 7700000
(1,3-diphenylpyrazol-4-yl)methyl 2-(1-methylidene-3-oxoisoindol-2-yl)acetate
CID 24600453
[3-(3,4-dimethylphenyl)-1-phenylpyrazol-4-yl]methyl 4-ethoxybenzoate
CID 2505023
[1-(4-methylphenyl)-3-phenylpyrazol-4-yl]methanamine
CID 28910773
[3-(4-chlorophenyl)-1-phenylpyrazol-4-yl]methyl 2-phenylsulfanylacetate
CID 4846573
3-[4-[[2-[3-(4-chlorophenyl)-1-phenylpyrazol-4-yl]acetyl]amino]phenoxy]propanamide
CID 55839730
(1,3-diphenylpyrazol-4-yl)methyl (2E,4E)-hexa-2,4-dienoate
CID 7700088
(1,3-diphenylpyrazol-4-yl)methyl 4-tert-butylbenzoate
CID 2119337
(1,3-diphenylpyrazol-4-yl)methyl naphthalene-2-carboxylate
CID 7697736
3-(4-methylphenyl)-1-phenylpyrazole-4-carboxamide
CID 2360724
4-ethyl-3-(4-methoxyphenyl)-1-phenylpyrazole
CID 67740433
3-(4-methylphenyl)-1-phenyl-N-phenylmethoxypyrazole-4-carboxamide
CID 155553556

Frequently Asked Questions

What is the IUPAC name of (1,3-diphenylpyrazol-4-yl)methyl 3-(4-methylphenoxy)propanoate?
The IUPAC name of (1,3-diphenylpyrazol-4-yl)methyl 3-(4-methylphenoxy)propanoate (CID 7703542) is (1,3-diphenylpyrazol-4-yl)methyl 3-(4-methylphenoxy)propanoate.
What is the SMILES notation for (1,3-diphenylpyrazol-4-yl)methyl 3-(4-methylphenoxy)propanoate?
The canonical SMILES for (1,3-diphenylpyrazol-4-yl)methyl 3-(4-methylphenoxy)propanoate is Cc1ccc(OCCC(=O)OCc2cn(-c3ccccc3)nc2-c2ccccc2)cc1.
What is the InChIKey of (1,3-diphenylpyrazol-4-yl)methyl 3-(4-methylphenoxy)propanoate?
The InChIKey is HNMNQNMXNYIWHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24N2O3/c1-20-12-14-24(15-13-20)30-17-16-25(29)31-19-22-18-28(23-10-6-3-7-11-23)27-26(22)21-8-4-2-5-9-21/h2-15,18H,16-17,19H2,1H3.
What are the key properties of (1,3-diphenylpyrazol-4-yl)methyl 3-(4-methylphenoxy)propanoate?
(1,3-diphenylpyrazol-4-yl)methyl 3-(4-methylphenoxy)propanoate has a molecular weight of 412.49 g/mol, XLogP of 5.36, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1,3-diphenylpyrazol-4-yl)methyl 3-(4-methylphenoxy)propanoate is sourced from PubChem (CID 7703542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).