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

C28H25N3O2 — CID 169470910

IUPAC9H-fluoren-9-ylmethyl N-[3-[1-(3-methylphenyl)pyrazol-4-yl]prop-2-enyl]carbamate
SMILESCc1cccc(-n2cc(C=CCNC(=O)OCC3c4ccccc4-c4ccccc43)cn2)c1
InChIInChI=1S/C28H25N3O2/c1-20-8-6-10-22(16-20)31-18-21(17-30-31)9-7-15-29-28(32)33-19-27-25-13-4-2-11-23(25)24-12-3-5-14-26(24)27/h2-14,16-18,27H,15,19H2,1H3,(H,29,32)
InChIKeyQSBNLBIRUAWVCU-UHFFFAOYSA-N
MW435.53 g/mol
LogP5.73
Rot. Bonds6

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

9H-fluoren-9-ylmethyl N-[3-[1-(3-methylphenyl)pyrazol-4-yl]prop-2-enyl]carbamate (PubChem CID 169470910) has the molecular formula C28H25N3O2 and a molecular weight of 435.53 g/mol. Its IUPAC name is 9H-fluoren-9-ylmethyl N-[3-[1-(3-methylphenyl)pyrazol-4-yl]prop-2-enyl]carbamate.

Molecular Properties

Compound Name9H-fluoren-9-ylmethyl N-[3-[1-(3-methylphenyl)pyrazol-4-yl]prop-2-enyl]carbamate
PubChem CID169470910
Molecular FormulaC28H25N3O2
Molecular Weight435.53 g/mol
Exact Mass435.19
IUPAC Name9H-fluoren-9-ylmethyl N-[3-[1-(3-methylphenyl)pyrazol-4-yl]prop-2-enyl]carbamate
SMILESCc1cccc(-n2cc(C=CCNC(=O)OCC3c4ccccc4-c4ccccc43)cn2)c1
InChIInChI=1S/C28H25N3O2/c1-20-8-6-10-22(16-20)31-18-21(17-30-31)9-7-15-29-28(32)33-19-27-25-13-4-2-11-23(25)24-12-3-5-14-26(24)27/h2-14,16-18,27H,15,19H2,1H3,(H,29,32)
InChIKeyQSBNLBIRUAWVCU-UHFFFAOYSA-N
XLogP5.73
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500435.53
LogP ≤ 55.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

9H-fluoren-9-ylmethyl N-[3-[1-(2-nitrophenyl)pyrazol-4-yl]prop-2-enyl]carbamate
CID 169470552
(2S)-2-[4-[3-(9H-fluoren-9-ylmethoxycarbonylamino)prop-1-enyl]pyrazol-1-yl]propanoic acid
CID 169469905
9H-fluoren-9-ylmethyl N-[3-(4-pyrazol-1-ylphenyl)prop-2-enyl]carbamate
CID 169470287
9H-fluoren-9-ylmethyl N-[3-(3-amino-4-methylphenyl)prop-2-enyl]carbamate
CID 169469269
9H-fluoren-9-ylmethyl N-[3-(3-formyl-5-methylphenyl)prop-2-enyl]carbamate
CID 169469467
9H-fluoren-9-ylmethyl N-[3-(3-bromo-5-methylphenyl)prop-2-enyl]carbamate
CID 169470820
9H-fluoren-9-ylmethyl N-[3-(2,5-dimethylphenyl)prop-2-enyl]carbamate
CID 169469085
4-[3-(9H-fluoren-9-ylmethoxycarbonylamino)prop-1-enyl]-2-methylbenzoic acid
CID 169469831
9H-fluoren-9-ylmethyl N-[3-(6-ethoxy-3-pyridinyl)prop-2-enyl]carbamate
CID 169469649
benzyl N-[3-[1-(3-chlorophenyl)pyrazol-4-yl]prop-2-enyl]carbamate
CID 169472960
9H-fluoren-9-ylmethyl N-[3-(4-methoxy-3,5-dimethylphenyl)prop-2-enyl]carbamate
CID 169469871
9H-fluoren-9-ylmethyl N-[3-(3-acetyl-4-chlorophenyl)prop-2-enyl]carbamate
CID 169469851

Frequently Asked Questions

What is the IUPAC name of 9H-fluoren-9-ylmethyl N-[3-[1-(3-methylphenyl)pyrazol-4-yl]prop-2-enyl]carbamate?
The IUPAC name of 9H-fluoren-9-ylmethyl N-[3-[1-(3-methylphenyl)pyrazol-4-yl]prop-2-enyl]carbamate (CID 169470910) is 9H-fluoren-9-ylmethyl N-[3-[1-(3-methylphenyl)pyrazol-4-yl]prop-2-enyl]carbamate.
What is the SMILES notation for 9H-fluoren-9-ylmethyl N-[3-[1-(3-methylphenyl)pyrazol-4-yl]prop-2-enyl]carbamate?
The canonical SMILES for 9H-fluoren-9-ylmethyl N-[3-[1-(3-methylphenyl)pyrazol-4-yl]prop-2-enyl]carbamate is Cc1cccc(-n2cc(C=CCNC(=O)OCC3c4ccccc4-c4ccccc43)cn2)c1.
What is the InChIKey of 9H-fluoren-9-ylmethyl N-[3-[1-(3-methylphenyl)pyrazol-4-yl]prop-2-enyl]carbamate?
The InChIKey is QSBNLBIRUAWVCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H25N3O2/c1-20-8-6-10-22(16-20)31-18-21(17-30-31)9-7-15-29-28(32)33-19-27-25-13-4-2-11-23(25)24-12-3-5-14-26(24)27/h2-14,16-18,27H,15,19H2,1H3,(H,29,32).
What are the key properties of 9H-fluoren-9-ylmethyl N-[3-[1-(3-methylphenyl)pyrazol-4-yl]prop-2-enyl]carbamate?
9H-fluoren-9-ylmethyl N-[3-[1-(3-methylphenyl)pyrazol-4-yl]prop-2-enyl]carbamate has a molecular weight of 435.53 g/mol, XLogP of 5.73, 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-[1-(3-methylphenyl)pyrazol-4-yl]prop-2-enyl]carbamate is sourced from PubChem (CID 169470910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).