9H-fluoren-9-ylmethyl N-[3-(4-pyrazol-1-ylphenyl)prop-2-enyl]carbamate

C27H23N3O2 — CID 169470287

IUPAC9H-fluoren-9-ylmethyl N-[3-(4-pyrazol-1-ylphenyl)prop-2-enyl]carbamate
SMILESO=C(NCC=Cc1ccc(-n2cccn2)cc1)OCC1c2ccccc2-c2ccccc21
InChIInChI=1S/C27H23N3O2/c31-27(28-16-5-7-20-12-14-21(15-13-20)30-18-6-17-29-30)32-19-26-24-10-3-1-8-22(24)23-9-2-4-11-25(23)26/h1-15,17-18,26H,16,19H2,(H,28,31)
InChIKeyARVJIDUPOLCTEI-UHFFFAOYSA-N
MW421.50 g/mol
LogP5.42
Rot. Bonds6

About 9H-fluoren-9-ylmethyl N-[3-(4-pyrazol-1-ylphenyl)prop-2-enyl]carbamate

9H-fluoren-9-ylmethyl N-[3-(4-pyrazol-1-ylphenyl)prop-2-enyl]carbamate (PubChem CID 169470287) has the molecular formula C27H23N3O2 and a molecular weight of 421.50 g/mol. Its IUPAC name is 9H-fluoren-9-ylmethyl N-[3-(4-pyrazol-1-ylphenyl)prop-2-enyl]carbamate.

Molecular Properties

Compound Name9H-fluoren-9-ylmethyl N-[3-(4-pyrazol-1-ylphenyl)prop-2-enyl]carbamate
PubChem CID169470287
Molecular FormulaC27H23N3O2
Molecular Weight421.50 g/mol
Exact Mass421.18
IUPAC Name9H-fluoren-9-ylmethyl N-[3-(4-pyrazol-1-ylphenyl)prop-2-enyl]carbamate
SMILESO=C(NCC=Cc1ccc(-n2cccn2)cc1)OCC1c2ccccc2-c2ccccc21
InChIInChI=1S/C27H23N3O2/c31-27(28-16-5-7-20-12-14-21(15-13-20)30-18-6-17-29-30)32-19-26-24-10-3-1-8-22(24)23-9-2-4-11-25(23)26/h1-15,17-18,26H,16,19H2,(H,28,31)
InChIKeyARVJIDUPOLCTEI-UHFFFAOYSA-N
XLogP5.42
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500421.50
LogP ≤ 55.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

9H-fluoren-9-ylmethyl N-[3-[4-(2-hydroxyethyl)phenyl]prop-2-enyl]carbamate
CID 169469471
9H-fluoren-9-ylmethyl N-(3-pyridin-3-ylprop-2-enyl)carbamate
CID 169468939
9H-fluoren-9-ylmethyl N-[3-[4-[(2-methylpropan-2-yl)oxy]phenyl]prop-2-enyl]carbamate
CID 169470124
9H-fluoren-9-ylmethyl N-[3-[1-(3-methylphenyl)pyrazol-4-yl]prop-2-enyl]carbamate
CID 169470910
2-[4-[3-(9H-fluoren-9-ylmethoxycarbonylamino)prop-1-enyl]phenyl]-2-methylpropanoic acid
CID 169470392
9H-fluoren-9-ylmethyl N-[3-(5-formyl-3-pyridinyl)prop-2-enyl]carbamate
CID 169469299
methyl 2-[4-[3-(9H-fluoren-9-ylmethoxycarbonylamino)prop-1-enyl]phenoxy]acetate
CID 169470427
9H-fluoren-9-ylmethyl N-[3-(2-methyl-4-pyridinyl)prop-2-enyl]carbamate
CID 169469022
9H-fluoren-9-ylmethyl N-[3-(3-fluoro-4-hydroxyphenyl)prop-2-enyl]carbamate
CID 169469128
9H-fluoren-9-ylmethyl N-[3-(3-amino-4-methylphenyl)prop-2-enyl]carbamate
CID 169469269
9H-fluoren-9-ylmethyl N-(3-imidazo[1,2-a]pyridin-3-ylprop-2-enyl)carbamate
CID 169469690
9H-fluoren-9-ylmethyl N-[3-(6-ethoxy-3-pyridinyl)prop-2-enyl]carbamate
CID 169469649

Frequently Asked Questions

What is the IUPAC name of 9H-fluoren-9-ylmethyl N-[3-(4-pyrazol-1-ylphenyl)prop-2-enyl]carbamate?
The IUPAC name of 9H-fluoren-9-ylmethyl N-[3-(4-pyrazol-1-ylphenyl)prop-2-enyl]carbamate (CID 169470287) is 9H-fluoren-9-ylmethyl N-[3-(4-pyrazol-1-ylphenyl)prop-2-enyl]carbamate.
What is the SMILES notation for 9H-fluoren-9-ylmethyl N-[3-(4-pyrazol-1-ylphenyl)prop-2-enyl]carbamate?
The canonical SMILES for 9H-fluoren-9-ylmethyl N-[3-(4-pyrazol-1-ylphenyl)prop-2-enyl]carbamate is O=C(NCC=Cc1ccc(-n2cccn2)cc1)OCC1c2ccccc2-c2ccccc21.
What is the InChIKey of 9H-fluoren-9-ylmethyl N-[3-(4-pyrazol-1-ylphenyl)prop-2-enyl]carbamate?
The InChIKey is ARVJIDUPOLCTEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H23N3O2/c31-27(28-16-5-7-20-12-14-21(15-13-20)30-18-6-17-29-30)32-19-26-24-10-3-1-8-22(24)23-9-2-4-11-25(23)26/h1-15,17-18,26H,16,19H2,(H,28,31).
What are the key properties of 9H-fluoren-9-ylmethyl N-[3-(4-pyrazol-1-ylphenyl)prop-2-enyl]carbamate?
9H-fluoren-9-ylmethyl N-[3-(4-pyrazol-1-ylphenyl)prop-2-enyl]carbamate has a molecular weight of 421.50 g/mol, XLogP of 5.42, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 9H-fluoren-9-ylmethyl N-[3-(4-pyrazol-1-ylphenyl)prop-2-enyl]carbamate is sourced from PubChem (CID 169470287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).