[2-(3-chlorophenyl)-1-[1-(difluoromethyl)pyrazol-3-yl]ethyl] carbamate

C13H12ClF2N3O2 — CID 175530526

IUPAC[2-(3-chlorophenyl)-1-[1-(difluoromethyl)pyrazol-3-yl]ethyl] carbamate
SMILESNC(=O)OC(Cc1cccc(Cl)c1)c1ccn(C(F)F)n1
InChIInChI=1S/C13H12ClF2N3O2/c14-9-3-1-2-8(6-9)7-11(21-13(17)20)10-4-5-19(18-10)12(15)16/h1-6,11-12H,7H2,(H2,17,20)
InChIKeyOGZAVCVWXHNIEV-UHFFFAOYSA-N
MW315.71 g/mol
LogP3.31
Rot. Bonds5

About [2-(3-chlorophenyl)-1-[1-(difluoromethyl)pyrazol-3-yl]ethyl] carbamate

[2-(3-chlorophenyl)-1-[1-(difluoromethyl)pyrazol-3-yl]ethyl] carbamate (PubChem CID 175530526) has the molecular formula C13H12ClF2N3O2 and a molecular weight of 315.71 g/mol. Its IUPAC name is [2-(3-chlorophenyl)-1-[1-(difluoromethyl)pyrazol-3-yl]ethyl] carbamate.

Molecular Properties

Compound Name[2-(3-chlorophenyl)-1-[1-(difluoromethyl)pyrazol-3-yl]ethyl] carbamate
PubChem CID175530526
Molecular FormulaC13H12ClF2N3O2
Molecular Weight315.71 g/mol
Exact Mass315.06
IUPAC Name[2-(3-chlorophenyl)-1-[1-(difluoromethyl)pyrazol-3-yl]ethyl] carbamate
SMILESNC(=O)OC(Cc1cccc(Cl)c1)c1ccn(C(F)F)n1
InChIInChI=1S/C13H12ClF2N3O2/c14-9-3-1-2-8(6-9)7-11(21-13(17)20)10-4-5-19(18-10)12(15)16/h1-6,11-12H,7H2,(H2,17,20)
InChIKeyOGZAVCVWXHNIEV-UHFFFAOYSA-N
XLogP3.31
TPSA70.14 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.71
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze [2-(3-chlorophenyl)-1-[1-(difluoromethyl)pyrazol-3-yl]ethyl] carbamate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

tert-butyl N-[(1S)-2-(3-chlorophenyl)-1-[1-(difluoromethyl)pyrazol-3-yl]ethyl]carbamate
CID 166164140
[2-(3-chlorophenyl)-1-phenylethyl] carbamate
CID 156884464
[1-[1-(3-chlorophenyl)imidazol-4-yl]-2-(4-cyanophenyl)ethyl] carbamate
CID 67599748
[(2S)-2-amino-3-(3-chlorophenyl)propyl] carbamate
CID 70099288
methyl 2-bromo-3-(3-chlorophenyl)propanoate
CID 43826387
(2S)-3-(3-chlorophenyl)-2-(fluoroamino)propanoic acid
CID 174451213
2-N-[(1S)-2-(3-chlorophenyl)-1-[1-(difluoromethyl)pyrazol-3-yl]ethyl]-6-(3-methylimidazo[1,5-a]pyridin-6-yl)-1,3,5-triazine-2,4-diamine
CID 166164003
(2S)-3-(3-chlorophenyl)-2-hydroxypropanoic acid
CID 39240389
2-[(3-chlorophenyl)methyl]-4-fluorobutanoic acid
CID 80694134
2-(3-chlorophenyl)-1-(1-phenylpyrazol-3-yl)ethanamine
CID 105086005
methyl (2S)-2-acetamido-3-(3-chlorophenyl)propanoate
CID 11219042
2-chloro-3-(3-chlorophenyl)propanoic acid
CID 10867759

Frequently Asked Questions

What is the IUPAC name of [2-(3-chlorophenyl)-1-[1-(difluoromethyl)pyrazol-3-yl]ethyl] carbamate?
The IUPAC name of [2-(3-chlorophenyl)-1-[1-(difluoromethyl)pyrazol-3-yl]ethyl] carbamate (CID 175530526) is [2-(3-chlorophenyl)-1-[1-(difluoromethyl)pyrazol-3-yl]ethyl] carbamate.
What is the SMILES notation for [2-(3-chlorophenyl)-1-[1-(difluoromethyl)pyrazol-3-yl]ethyl] carbamate?
The canonical SMILES for [2-(3-chlorophenyl)-1-[1-(difluoromethyl)pyrazol-3-yl]ethyl] carbamate is NC(=O)OC(Cc1cccc(Cl)c1)c1ccn(C(F)F)n1.
What is the InChIKey of [2-(3-chlorophenyl)-1-[1-(difluoromethyl)pyrazol-3-yl]ethyl] carbamate?
The InChIKey is OGZAVCVWXHNIEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12ClF2N3O2/c14-9-3-1-2-8(6-9)7-11(21-13(17)20)10-4-5-19(18-10)12(15)16/h1-6,11-12H,7H2,(H2,17,20).
What are the key properties of [2-(3-chlorophenyl)-1-[1-(difluoromethyl)pyrazol-3-yl]ethyl] carbamate?
[2-(3-chlorophenyl)-1-[1-(difluoromethyl)pyrazol-3-yl]ethyl] carbamate has a molecular weight of 315.71 g/mol, XLogP of 3.31, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(3-chlorophenyl)-1-[1-(difluoromethyl)pyrazol-3-yl]ethyl] carbamate is sourced from PubChem (CID 175530526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).