[1-(3-chlorophenyl)-2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl] formate

C14H15ClN2O2 — CID 174447240

IUPAC[1-(3-chlorophenyl)-2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl] formate
SMILESCc1n[nH]c(C)c1CC(OC=O)c1cccc(Cl)c1
InChIInChI=1S/C14H15ClN2O2/c1-9-13(10(2)17-16-9)7-14(19-8-18)11-4-3-5-12(15)6-11/h3-6,8,14H,7H2,1-2H3,(H,16,17)
InChIKeyHDAKFHHCCBFHBZ-UHFFFAOYSA-N
MW278.74 g/mol
LogP3.14
Rot. Bonds5

About [1-(3-chlorophenyl)-2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl] formate

[1-(3-chlorophenyl)-2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl] formate (PubChem CID 174447240) has the molecular formula C14H15ClN2O2 and a molecular weight of 278.74 g/mol. Its IUPAC name is [1-(3-chlorophenyl)-2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl] formate.

Molecular Properties

Compound Name[1-(3-chlorophenyl)-2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl] formate
PubChem CID174447240
Molecular FormulaC14H15ClN2O2
Molecular Weight278.74 g/mol
Exact Mass278.08
IUPAC Name[1-(3-chlorophenyl)-2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl] formate
SMILESCc1n[nH]c(C)c1CC(OC=O)c1cccc(Cl)c1
InChIInChI=1S/C14H15ClN2O2/c1-9-13(10(2)17-16-9)7-14(19-8-18)11-4-3-5-12(15)6-11/h3-6,8,14H,7H2,1-2H3,(H,16,17)
InChIKeyHDAKFHHCCBFHBZ-UHFFFAOYSA-N
XLogP3.14
TPSA54.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.74
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

[1-(3-chlorophenyl)-2-[3-[4-(trifluoromethyl)phenyl]-1H-pyrazol-5-yl]ethyl] formate
CID 174717787
[2-(5-methyl-3-pyridin-4-yl-1H-pyrazol-4-yl)-1-[3-(trifluoromethoxy)phenyl]ethyl] formate
CID 174599570
[1-(3-chlorophenyl)-2-[3-[3-fluoro-5-(trifluoromethyl)phenyl]-1H-pyrazol-5-yl]ethyl] formate
CID 174610664
4-[5-(3-chlorophenoxy)pentyl]-3,5-dimethyl-1H-pyrazole;hydrochloride
CID 163332805
2-(3-chlorophenyl)-3-(3,5-dimethylphenyl)propanal
CID 174692002
N-[3-(3-chlorophenyl)cyclobutyl]-2-(3,5-dimethyl-1H-pyrazol-4-yl)acetamide
CID 136534933
5-(3-chlorophenyl)-5-hydroxy-2-methylidenepentanal;methoxymethane
CID 156714616
1-chloro-3-[1-(2,2-difluoropropoxy)-2-iodoethyl]benzene
CID 165493406
3-chloro-N-(3,5-dimethyl-1H-pyrazol-4-yl)benzenesulfonamide
CID 43547574
N-[2-(3-chlorophenyl)-2-methoxyethyl]-4-(methylamino)butanamide
CID 119807214
ethyl 2-(3-chlorophenyl)-2-(5-ethyl-1H-1,2,4-triazol-3-yl)acetate
CID 79474615
1-chloro-3-[2-iodo-1-(2-methoxyethoxy)ethyl]benzene
CID 114773109

Frequently Asked Questions

What is the IUPAC name of [1-(3-chlorophenyl)-2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl] formate?
The IUPAC name of [1-(3-chlorophenyl)-2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl] formate (CID 174447240) is [1-(3-chlorophenyl)-2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl] formate.
What is the SMILES notation for [1-(3-chlorophenyl)-2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl] formate?
The canonical SMILES for [1-(3-chlorophenyl)-2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl] formate is Cc1n[nH]c(C)c1CC(OC=O)c1cccc(Cl)c1.
What is the InChIKey of [1-(3-chlorophenyl)-2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl] formate?
The InChIKey is HDAKFHHCCBFHBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15ClN2O2/c1-9-13(10(2)17-16-9)7-14(19-8-18)11-4-3-5-12(15)6-11/h3-6,8,14H,7H2,1-2H3,(H,16,17).
What are the key properties of [1-(3-chlorophenyl)-2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl] formate?
[1-(3-chlorophenyl)-2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl] formate has a molecular weight of 278.74 g/mol, XLogP of 3.14, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(3-chlorophenyl)-2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl] formate is sourced from PubChem (CID 174447240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).