5-(5-ethyl-2-methoxyphenyl)-1H-pyrazole

C12H14N2O — CID 116869035

IUPAC5-(5-ethyl-2-methoxyphenyl)-1H-pyrazole
SMILESCCc1ccc(OC)c(-c2ccn[nH]2)c1
InChIInChI=1S/C12H14N2O/c1-3-9-4-5-12(15-2)10(8-9)11-6-7-13-14-11/h4-8H,3H2,1-2H3,(H,13,14)
InChIKeyMJMSKHBOYPTPSF-UHFFFAOYSA-N
MW202.26 g/mol
LogP2.65
Rot. Bonds3

About 5-(5-ethyl-2-methoxyphenyl)-1H-pyrazole

5-(5-ethyl-2-methoxyphenyl)-1H-pyrazole (PubChem CID 116869035) has the molecular formula C12H14N2O and a molecular weight of 202.26 g/mol. Its IUPAC name is 5-(5-ethyl-2-methoxyphenyl)-1H-pyrazole.

Molecular Properties

Compound Name5-(5-ethyl-2-methoxyphenyl)-1H-pyrazole
PubChem CID116869035
Molecular FormulaC12H14N2O
Molecular Weight202.26 g/mol
Exact Mass202.11
IUPAC Name5-(5-ethyl-2-methoxyphenyl)-1H-pyrazole
SMILESCCc1ccc(OC)c(-c2ccn[nH]2)c1
InChIInChI=1S/C12H14N2O/c1-3-9-4-5-12(15-2)10(8-9)11-6-7-13-14-11/h4-8H,3H2,1-2H3,(H,13,14)
InChIKeyMJMSKHBOYPTPSF-UHFFFAOYSA-N
XLogP2.65
TPSA37.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.26
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2-chloroethyl)-5-(5-ethyl-2-methoxyphenyl)-1H-imidazole
CID 116878196
5-(4-methoxy-2,5-dimethylphenyl)-1H-pyrazole
CID 116869027
1-[5-(5-ethyl-2-methoxyphenyl)-1H-imidazol-2-yl]propan-2-one
CID 116880798
2-[5-(5-ethyl-2-methoxyphenyl)-1H-imidazol-2-yl]propan-1-amine
CID 116876649
2-bromo-4-(5-ethyl-2-methoxyphenyl)pyrimidine
CID 116904266
[5-(5-ethyl-2-methoxyphenyl)-1,3,4-oxadiazol-2-yl]methanamine
CID 82475517
1-methoxy-N-[[4-methoxy-3-[3-(1H-pyrazol-5-yl)phenyl]phenyl]methyl]propan-2-amine
CID 45207386
2-(5-ethyl-2-methoxyphenyl)thiophene
CID 20651347
4-(5-ethyl-2-methoxyphenyl)-1,3-thiazole-2,5-diamine
CID 82480643
2-amino-5-(5-ethyl-2-methoxyphenyl)-1H-pyrrole-3-carboxamide;formamide
CID 145464622
[2-(5-ethyl-2-methoxyphenyl)-1,3-thiazol-4-yl]methanethiol
CID 116889475
5-(5-ethyl-2-methoxyphenyl)-1,2-oxazole-3-carbonitrile
CID 116858882

Frequently Asked Questions

What is the IUPAC name of 5-(5-ethyl-2-methoxyphenyl)-1H-pyrazole?
The IUPAC name of 5-(5-ethyl-2-methoxyphenyl)-1H-pyrazole (CID 116869035) is 5-(5-ethyl-2-methoxyphenyl)-1H-pyrazole.
What is the SMILES notation for 5-(5-ethyl-2-methoxyphenyl)-1H-pyrazole?
The canonical SMILES for 5-(5-ethyl-2-methoxyphenyl)-1H-pyrazole is CCc1ccc(OC)c(-c2ccn[nH]2)c1.
What is the InChIKey of 5-(5-ethyl-2-methoxyphenyl)-1H-pyrazole?
The InChIKey is MJMSKHBOYPTPSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O/c1-3-9-4-5-12(15-2)10(8-9)11-6-7-13-14-11/h4-8H,3H2,1-2H3,(H,13,14).
What are the key properties of 5-(5-ethyl-2-methoxyphenyl)-1H-pyrazole?
5-(5-ethyl-2-methoxyphenyl)-1H-pyrazole has a molecular weight of 202.26 g/mol, XLogP of 2.65, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(5-ethyl-2-methoxyphenyl)-1H-pyrazole is sourced from PubChem (CID 116869035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).