9H-fluoren-9-ylmethyl N-[3-(5-methyl-1-propylpyrazol-4-yl)prop-2-enyl]carbamate

C25H27N3O2 — CID 169470899

IUPAC9H-fluoren-9-ylmethyl N-[3-(5-methyl-1-propylpyrazol-4-yl)prop-2-enyl]carbamate
SMILESCCCn1ncc(C=CCNC(=O)OCC2c3ccccc3-c3ccccc32)c1C
InChIInChI=1S/C25H27N3O2/c1-3-15-28-18(2)19(16-27-28)9-8-14-26-25(29)30-17-24-22-12-6-4-10-20(22)21-11-5-7-13-23(21)24/h4-13,16,24H,3,14-15,17H2,1-2H3,(H,26,29)
InChIKeyPCEWBMUOZYUVDY-UHFFFAOYSA-N
MW401.51 g/mol
LogP5.15
Rot. Bonds7

About 9H-fluoren-9-ylmethyl N-[3-(5-methyl-1-propylpyrazol-4-yl)prop-2-enyl]carbamate

9H-fluoren-9-ylmethyl N-[3-(5-methyl-1-propylpyrazol-4-yl)prop-2-enyl]carbamate (PubChem CID 169470899) has the molecular formula C25H27N3O2 and a molecular weight of 401.51 g/mol. Its IUPAC name is 9H-fluoren-9-ylmethyl N-[3-(5-methyl-1-propylpyrazol-4-yl)prop-2-enyl]carbamate.

Molecular Properties

Compound Name9H-fluoren-9-ylmethyl N-[3-(5-methyl-1-propylpyrazol-4-yl)prop-2-enyl]carbamate
PubChem CID169470899
Molecular FormulaC25H27N3O2
Molecular Weight401.51 g/mol
Exact Mass401.21
IUPAC Name9H-fluoren-9-ylmethyl N-[3-(5-methyl-1-propylpyrazol-4-yl)prop-2-enyl]carbamate
SMILESCCCn1ncc(C=CCNC(=O)OCC2c3ccccc3-c3ccccc32)c1C
InChIInChI=1S/C25H27N3O2/c1-3-15-28-18(2)19(16-27-28)9-8-14-26-25(29)30-17-24-22-12-6-4-10-20(22)21-11-5-7-13-23(21)24/h4-13,16,24H,3,14-15,17H2,1-2H3,(H,26,29)
InChIKeyPCEWBMUOZYUVDY-UHFFFAOYSA-N
XLogP5.15
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500401.51
LogP ≤ 55.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

9H-fluoren-9-ylmethyl N-[3-(3-methyl-4-pyridinyl)prop-2-enyl]carbamate
CID 169469026
9H-fluoren-9-ylmethyl N-[3-(2,4,5-trimethylphenyl)prop-2-enyl]carbamate
CID 169469367
9H-fluoren-9-ylmethyl N-[3-(6-methoxy-2-methyl-3-pyridinyl)prop-2-enyl]carbamate
CID 169469647
9H-fluoren-9-ylmethyl N-[3-(2-aminophenyl)prop-2-enyl]carbamate
CID 169469017
9H-fluoren-9-ylmethyl N-[3-(2,5-dimethylphenyl)prop-2-enyl]carbamate
CID 169469085
9H-fluoren-9-ylmethyl N-[3-(4-amino-3-pyridinyl)prop-2-enyl]carbamate
CID 169468973
9H-fluoren-9-ylmethyl N-[3-(4-hydroxy-2-methylphenyl)prop-2-enyl]carbamate
CID 169469151
9H-fluoren-9-ylmethyl N-[3-(4,5-diamino-2-methylphenyl)prop-2-enyl]carbamate
CID 169469501
9H-fluoren-9-ylmethyl N-[3-(2-sulfanylphenyl)prop-2-enyl]carbamate
CID 169468944
9H-fluoren-9-ylmethyl N-[3-(2,3,4-trimethoxyphenyl)prop-2-enyl]carbamate
CID 169470816
9H-fluoren-9-ylmethyl N-[3-(2-methyl-4-pyridinyl)prop-2-enyl]carbamate
CID 169469022
(2S)-2-[4-[3-(9H-fluoren-9-ylmethoxycarbonylamino)prop-1-enyl]pyrazol-1-yl]propanoic acid
CID 169469905

Frequently Asked Questions

What is the IUPAC name of 9H-fluoren-9-ylmethyl N-[3-(5-methyl-1-propylpyrazol-4-yl)prop-2-enyl]carbamate?
The IUPAC name of 9H-fluoren-9-ylmethyl N-[3-(5-methyl-1-propylpyrazol-4-yl)prop-2-enyl]carbamate (CID 169470899) is 9H-fluoren-9-ylmethyl N-[3-(5-methyl-1-propylpyrazol-4-yl)prop-2-enyl]carbamate.
What is the SMILES notation for 9H-fluoren-9-ylmethyl N-[3-(5-methyl-1-propylpyrazol-4-yl)prop-2-enyl]carbamate?
The canonical SMILES for 9H-fluoren-9-ylmethyl N-[3-(5-methyl-1-propylpyrazol-4-yl)prop-2-enyl]carbamate is CCCn1ncc(C=CCNC(=O)OCC2c3ccccc3-c3ccccc32)c1C.
What is the InChIKey of 9H-fluoren-9-ylmethyl N-[3-(5-methyl-1-propylpyrazol-4-yl)prop-2-enyl]carbamate?
The InChIKey is PCEWBMUOZYUVDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27N3O2/c1-3-15-28-18(2)19(16-27-28)9-8-14-26-25(29)30-17-24-22-12-6-4-10-20(22)21-11-5-7-13-23(21)24/h4-13,16,24H,3,14-15,17H2,1-2H3,(H,26,29).
What are the key properties of 9H-fluoren-9-ylmethyl N-[3-(5-methyl-1-propylpyrazol-4-yl)prop-2-enyl]carbamate?
9H-fluoren-9-ylmethyl N-[3-(5-methyl-1-propylpyrazol-4-yl)prop-2-enyl]carbamate has a molecular weight of 401.51 g/mol, XLogP of 5.15, 7 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-(5-methyl-1-propylpyrazol-4-yl)prop-2-enyl]carbamate is sourced from PubChem (CID 169470899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).