propan-2-yl 5-[2-(4-methoxyphenyl)ethyl]-1H-pyrazole-3-carboxylate

C16H20N2O3 — CID 82634698

IUPACpropan-2-yl 5-[2-(4-methoxyphenyl)ethyl]-1H-pyrazole-3-carboxylate
SMILESCOc1ccc(CCc2cc(C(=O)OC(C)C)n[nH]2)cc1
InChIInChI=1S/C16H20N2O3/c1-11(2)21-16(19)15-10-13(17-18-15)7-4-12-5-8-14(20-3)9-6-12/h5-6,8-11H,4,7H2,1-3H3,(H,17,18)
InChIKeyOLZXXPOIHHRNRM-UHFFFAOYSA-N
MW288.35 g/mol
LogP2.77
Rot. Bonds6

About propan-2-yl 5-[2-(4-methoxyphenyl)ethyl]-1H-pyrazole-3-carboxylate

propan-2-yl 5-[2-(4-methoxyphenyl)ethyl]-1H-pyrazole-3-carboxylate (PubChem CID 82634698) has the molecular formula C16H20N2O3 and a molecular weight of 288.35 g/mol. Its IUPAC name is propan-2-yl 5-[2-(4-methoxyphenyl)ethyl]-1H-pyrazole-3-carboxylate.

Molecular Properties

Compound Namepropan-2-yl 5-[2-(4-methoxyphenyl)ethyl]-1H-pyrazole-3-carboxylate
PubChem CID82634698
Molecular FormulaC16H20N2O3
Molecular Weight288.35 g/mol
Exact Mass288.15
IUPAC Namepropan-2-yl 5-[2-(4-methoxyphenyl)ethyl]-1H-pyrazole-3-carboxylate
SMILESCOc1ccc(CCc2cc(C(=O)OC(C)C)n[nH]2)cc1
InChIInChI=1S/C16H20N2O3/c1-11(2)21-16(19)15-10-13(17-18-15)7-4-12-5-8-14(20-3)9-6-12/h5-6,8-11H,4,7H2,1-3H3,(H,17,18)
InChIKeyOLZXXPOIHHRNRM-UHFFFAOYSA-N
XLogP2.77
TPSA64.21 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.35
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-methylbutyl 5-[2-(4-methoxyphenyl)ethyl]-1H-pyrazole-3-carboxylate
CID 154824404
propan-2-yl 4-methoxy-6-(4-propylphenyl)pyridine-2-carboxylate
CID 155594282
propan-2-yl 3-[2-(4-methoxyphenyl)ethyl]-2H-azirine-2-carboxylate
CID 162377120
N,5-bis[(4-methoxyphenyl)methyl]-1H-pyrazole-3-carboxamide
CID 155753629
ethane;propan-2-yl 4,5-difluoro-6-(4-methoxyphenyl)pyridine-2-carboxylate
CID 144561639
propan-2-yl 4-[(4-methoxybenzoyl)oxymethyl]benzoate
CID 925812
5-[(4-methoxyphenyl)methyl]-N-(4-phenoxyphenyl)-1H-pyrazole-3-carboxamide
CID 154693127
3-pyridin-4-ylpropyl 5-(2-methylpropyl)-1H-pyrazole-3-carboxylate
CID 87044338
[2-(4-methoxyphenyl)-1,3-oxazol-4-yl]methyl 5-propyl-1H-pyrazole-3-carboxylate
CID 24671310
1-[tert-butyl(dimethyl)silyl]oxyethyl 5-(methoxymethyl)-1H-pyrazole-3-carboxylate
CID 174156302
propan-2-yl 2H-triazole-4-carboxylate
CID 12998526
[4-[2-(4-methoxyphenyl)ethyl]phenyl] 4-methoxybenzoate
CID 145141089

Frequently Asked Questions

What is the IUPAC name of propan-2-yl 5-[2-(4-methoxyphenyl)ethyl]-1H-pyrazole-3-carboxylate?
The IUPAC name of propan-2-yl 5-[2-(4-methoxyphenyl)ethyl]-1H-pyrazole-3-carboxylate (CID 82634698) is propan-2-yl 5-[2-(4-methoxyphenyl)ethyl]-1H-pyrazole-3-carboxylate.
What is the SMILES notation for propan-2-yl 5-[2-(4-methoxyphenyl)ethyl]-1H-pyrazole-3-carboxylate?
The canonical SMILES for propan-2-yl 5-[2-(4-methoxyphenyl)ethyl]-1H-pyrazole-3-carboxylate is COc1ccc(CCc2cc(C(=O)OC(C)C)n[nH]2)cc1.
What is the InChIKey of propan-2-yl 5-[2-(4-methoxyphenyl)ethyl]-1H-pyrazole-3-carboxylate?
The InChIKey is OLZXXPOIHHRNRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O3/c1-11(2)21-16(19)15-10-13(17-18-15)7-4-12-5-8-14(20-3)9-6-12/h5-6,8-11H,4,7H2,1-3H3,(H,17,18).
What are the key properties of propan-2-yl 5-[2-(4-methoxyphenyl)ethyl]-1H-pyrazole-3-carboxylate?
propan-2-yl 5-[2-(4-methoxyphenyl)ethyl]-1H-pyrazole-3-carboxylate has a molecular weight of 288.35 g/mol, XLogP of 2.77, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl 5-[2-(4-methoxyphenyl)ethyl]-1H-pyrazole-3-carboxylate is sourced from PubChem (CID 82634698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).