benzyl N-[3-[4-(1H-pyrazol-5-yl)phenyl]prop-2-enyl]carbamate

C20H19N3O2 — CID 169472339

IUPACbenzyl N-[3-[4-(1H-pyrazol-5-yl)phenyl]prop-2-enyl]carbamate
SMILESO=C(NCC=Cc1ccc(-c2ccn[nH]2)cc1)OCc1ccccc1
InChIInChI=1S/C20H19N3O2/c24-20(25-15-17-5-2-1-3-6-17)21-13-4-7-16-8-10-18(11-9-16)19-12-14-22-23-19/h1-12,14H,13,15H2,(H,21,24)(H,22,23)
InChIKeyYWWSLMHWUXERAV-UHFFFAOYSA-N
MW333.39 g/mol
LogP4.02
Rot. Bonds6

About benzyl N-[3-[4-(1H-pyrazol-5-yl)phenyl]prop-2-enyl]carbamate

benzyl N-[3-[4-(1H-pyrazol-5-yl)phenyl]prop-2-enyl]carbamate (PubChem CID 169472339) has the molecular formula C20H19N3O2 and a molecular weight of 333.39 g/mol. Its IUPAC name is benzyl N-[3-[4-(1H-pyrazol-5-yl)phenyl]prop-2-enyl]carbamate.

Molecular Properties

Compound Namebenzyl N-[3-[4-(1H-pyrazol-5-yl)phenyl]prop-2-enyl]carbamate
PubChem CID169472339
Molecular FormulaC20H19N3O2
Molecular Weight333.39 g/mol
Exact Mass333.15
IUPAC Namebenzyl N-[3-[4-(1H-pyrazol-5-yl)phenyl]prop-2-enyl]carbamate
SMILESO=C(NCC=Cc1ccc(-c2ccn[nH]2)cc1)OCc1ccccc1
InChIInChI=1S/C20H19N3O2/c24-20(25-15-17-5-2-1-3-6-17)21-13-4-7-16-8-10-18(11-9-16)19-12-14-22-23-19/h1-12,14H,13,15H2,(H,21,24)(H,22,23)
InChIKeyYWWSLMHWUXERAV-UHFFFAOYSA-N
XLogP4.02
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.39
LogP ≤ 54.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

benzyl N-[3-(4-ethenylphenyl)prop-2-enyl]carbamate
CID 169471136
benzyl N-[3-[4-(hydroxymethyl)phenyl]prop-2-enyl]carbamate
CID 169471202
N-[3-[4-(1H-pyrazol-5-yl)phenyl]prop-2-enyl]acetamide
CID 169466178
benzyl N-[3-[4-(methylamino)phenyl]prop-2-enyl]carbamate
CID 169471327
benzyl N-[3-(4-butylphenyl)prop-2-enyl]carbamate
CID 169471837
benzyl N-[3-[4-(2-methoxyphenyl)phenyl]prop-2-enyl]carbamate
CID 169472783
benzyl N-(3-pyrimidin-5-ylprop-2-enyl)carbamate
CID 169470986
benzyl N-[3-[4-(carbamothioylamino)phenyl]prop-2-enyl]carbamate
CID 169471954
benzyl N-[3-(3-phenylphenyl)prop-2-enyl]carbamate
CID 169472386
benzyl N-[3-(4-isocyanatophenyl)prop-2-enyl]carbamate
CID 169471719
benzyl N-[3-[4-(trifluoromethoxy)phenyl]prop-2-enyl]carbamate
CID 169472177
2-[5-[3-(phenylmethoxycarbonylamino)prop-1-enyl]-2-pyridinyl]acetic acid
CID 169472043

Frequently Asked Questions

What is the IUPAC name of benzyl N-[3-[4-(1H-pyrazol-5-yl)phenyl]prop-2-enyl]carbamate?
The IUPAC name of benzyl N-[3-[4-(1H-pyrazol-5-yl)phenyl]prop-2-enyl]carbamate (CID 169472339) is benzyl N-[3-[4-(1H-pyrazol-5-yl)phenyl]prop-2-enyl]carbamate.
What is the SMILES notation for benzyl N-[3-[4-(1H-pyrazol-5-yl)phenyl]prop-2-enyl]carbamate?
The canonical SMILES for benzyl N-[3-[4-(1H-pyrazol-5-yl)phenyl]prop-2-enyl]carbamate is O=C(NCC=Cc1ccc(-c2ccn[nH]2)cc1)OCc1ccccc1.
What is the InChIKey of benzyl N-[3-[4-(1H-pyrazol-5-yl)phenyl]prop-2-enyl]carbamate?
The InChIKey is YWWSLMHWUXERAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N3O2/c24-20(25-15-17-5-2-1-3-6-17)21-13-4-7-16-8-10-18(11-9-16)19-12-14-22-23-19/h1-12,14H,13,15H2,(H,21,24)(H,22,23).
What are the key properties of benzyl N-[3-[4-(1H-pyrazol-5-yl)phenyl]prop-2-enyl]carbamate?
benzyl N-[3-[4-(1H-pyrazol-5-yl)phenyl]prop-2-enyl]carbamate has a molecular weight of 333.39 g/mol, XLogP of 4.02, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl N-[3-[4-(1H-pyrazol-5-yl)phenyl]prop-2-enyl]carbamate is sourced from PubChem (CID 169472339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).