benzyl N-[3-[1-(3-chlorophenyl)pyrazol-4-yl]prop-2-enyl]carbamate

C20H18ClN3O2 — CID 169472960

IUPACbenzyl N-[3-[1-(3-chlorophenyl)pyrazol-4-yl]prop-2-enyl]carbamate
SMILESO=C(NCC=Cc1cnn(-c2cccc(Cl)c2)c1)OCc1ccccc1
InChIInChI=1S/C20H18ClN3O2/c21-18-9-4-10-19(12-18)24-14-17(13-23-24)8-5-11-22-20(25)26-15-16-6-2-1-3-7-16/h1-10,12-14H,11,15H2,(H,22,25)
InChIKeyOUICOBDDYOESRD-UHFFFAOYSA-N
MW367.84 g/mol
LogP4.47
Rot. Bonds6

About benzyl N-[3-[1-(3-chlorophenyl)pyrazol-4-yl]prop-2-enyl]carbamate

benzyl N-[3-[1-(3-chlorophenyl)pyrazol-4-yl]prop-2-enyl]carbamate (PubChem CID 169472960) has the molecular formula C20H18ClN3O2 and a molecular weight of 367.84 g/mol. Its IUPAC name is benzyl N-[3-[1-(3-chlorophenyl)pyrazol-4-yl]prop-2-enyl]carbamate.

Molecular Properties

Compound Namebenzyl N-[3-[1-(3-chlorophenyl)pyrazol-4-yl]prop-2-enyl]carbamate
PubChem CID169472960
Molecular FormulaC20H18ClN3O2
Molecular Weight367.84 g/mol
Exact Mass367.11
IUPAC Namebenzyl N-[3-[1-(3-chlorophenyl)pyrazol-4-yl]prop-2-enyl]carbamate
SMILESO=C(NCC=Cc1cnn(-c2cccc(Cl)c2)c1)OCc1ccccc1
InChIInChI=1S/C20H18ClN3O2/c21-18-9-4-10-19(12-18)24-14-17(13-23-24)8-5-11-22-20(25)26-15-16-6-2-1-3-7-16/h1-10,12-14H,11,15H2,(H,22,25)
InChIKeyOUICOBDDYOESRD-UHFFFAOYSA-N
XLogP4.47
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.84
LogP ≤ 54.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

benzyl N-[3-(1-methylindazol-6-yl)prop-2-enyl]carbamate
CID 169471789
(2S)-2-[4-[3-(phenylmethoxycarbonylamino)prop-1-enyl]pyrazol-1-yl]propanoic acid
CID 169471962
benzyl N-[3-[4-(1,2,4-triazol-1-yl)phenyl]prop-2-enyl]carbamate
CID 169472847
9H-fluoren-9-ylmethyl N-[3-[1-(3-methylphenyl)pyrazol-4-yl]prop-2-enyl]carbamate
CID 169470910
benzyl N-[3-(3-chloroquinoxalin-6-yl)prop-2-enyl]carbamate
CID 169472338
benzyl N-(3-pyrimidin-5-ylprop-2-enyl)carbamate
CID 169470986
benzyl N-[3-(3-phenylphenyl)prop-2-enyl]carbamate
CID 169472386
benzyl N-[3-[4-(hydroxymethyl)phenyl]prop-2-enyl]carbamate
CID 169471202
benzyl N-[3-(4-ethenylphenyl)prop-2-enyl]carbamate
CID 169471136
benzyl N-[3-(2-amino-4-chlorophenyl)prop-2-enyl]carbamate
CID 169471287
benzyl N-[3-[3-(3,5-dimethylpyrazol-1-yl)phenyl]prop-2-enyl]carbamate
CID 169472561
benzyl 2-[[(E)-3-(1-phenylpyrazol-4-yl)prop-2-enoyl]amino]acetate
CID 26831536

Frequently Asked Questions

What is the IUPAC name of benzyl N-[3-[1-(3-chlorophenyl)pyrazol-4-yl]prop-2-enyl]carbamate?
The IUPAC name of benzyl N-[3-[1-(3-chlorophenyl)pyrazol-4-yl]prop-2-enyl]carbamate (CID 169472960) is benzyl N-[3-[1-(3-chlorophenyl)pyrazol-4-yl]prop-2-enyl]carbamate.
What is the SMILES notation for benzyl N-[3-[1-(3-chlorophenyl)pyrazol-4-yl]prop-2-enyl]carbamate?
The canonical SMILES for benzyl N-[3-[1-(3-chlorophenyl)pyrazol-4-yl]prop-2-enyl]carbamate is O=C(NCC=Cc1cnn(-c2cccc(Cl)c2)c1)OCc1ccccc1.
What is the InChIKey of benzyl N-[3-[1-(3-chlorophenyl)pyrazol-4-yl]prop-2-enyl]carbamate?
The InChIKey is OUICOBDDYOESRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18ClN3O2/c21-18-9-4-10-19(12-18)24-14-17(13-23-24)8-5-11-22-20(25)26-15-16-6-2-1-3-7-16/h1-10,12-14H,11,15H2,(H,22,25).
What are the key properties of benzyl N-[3-[1-(3-chlorophenyl)pyrazol-4-yl]prop-2-enyl]carbamate?
benzyl N-[3-[1-(3-chlorophenyl)pyrazol-4-yl]prop-2-enyl]carbamate has a molecular weight of 367.84 g/mol, XLogP of 4.47, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl N-[3-[1-(3-chlorophenyl)pyrazol-4-yl]prop-2-enyl]carbamate is sourced from PubChem (CID 169472960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).