9H-fluoren-9-ylmethyl N-[3-(3,5-dimethyl-1H-pyrazol-4-yl)prop-2-enyl]carbamate

C23H23N3O2 — CID 169468972

IUPAC9H-fluoren-9-ylmethyl N-[3-(3,5-dimethyl-1H-pyrazol-4-yl)prop-2-enyl]carbamate
SMILESCc1n[nH]c(C)c1C=CCNC(=O)OCC1c2ccccc2-c2ccccc21
InChIInChI=1S/C23H23N3O2/c1-15-17(16(2)26-25-15)12-7-13-24-23(27)28-14-22-20-10-5-3-8-18(20)19-9-4-6-11-21(19)22/h3-12,22H,13-14H2,1-2H3,(H,24,27)(H,25,26)
InChIKeyRNASFZIACJTNFG-UHFFFAOYSA-N
MW373.46 g/mol
LogP4.58
Rot. Bonds5

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

9H-fluoren-9-ylmethyl N-[3-(3,5-dimethyl-1H-pyrazol-4-yl)prop-2-enyl]carbamate (PubChem CID 169468972) has the molecular formula C23H23N3O2 and a molecular weight of 373.46 g/mol. Its IUPAC name is 9H-fluoren-9-ylmethyl N-[3-(3,5-dimethyl-1H-pyrazol-4-yl)prop-2-enyl]carbamate.

Molecular Properties

Compound Name9H-fluoren-9-ylmethyl N-[3-(3,5-dimethyl-1H-pyrazol-4-yl)prop-2-enyl]carbamate
PubChem CID169468972
Molecular FormulaC23H23N3O2
Molecular Weight373.46 g/mol
Exact Mass373.18
IUPAC Name9H-fluoren-9-ylmethyl N-[3-(3,5-dimethyl-1H-pyrazol-4-yl)prop-2-enyl]carbamate
SMILESCc1n[nH]c(C)c1C=CCNC(=O)OCC1c2ccccc2-c2ccccc21
InChIInChI=1S/C23H23N3O2/c1-15-17(16(2)26-25-15)12-7-13-24-23(27)28-14-22-20-10-5-3-8-18(20)19-9-4-6-11-21(19)22/h3-12,22H,13-14H2,1-2H3,(H,24,27)(H,25,26)
InChIKeyRNASFZIACJTNFG-UHFFFAOYSA-N
XLogP4.58
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.46
LogP ≤ 54.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

9H-fluoren-9-ylmethyl N-[3-(2,6-dihydroxyphenyl)prop-2-enyl]carbamate
CID 169469119
9H-fluoren-9-ylmethyl N-[3-(3,5-dibromo-4-pyridinyl)prop-2-enyl]carbamate
CID 169470944
9H-fluoren-9-ylmethyl N-[3-(2-chloro-6-fluorophenyl)prop-2-enyl]carbamate
CID 169469095
9H-fluoren-9-ylmethyl N-[3-(6-methoxy-2-methyl-3-pyridinyl)prop-2-enyl]carbamate
CID 169469647
9H-fluoren-9-ylmethyl N-[3-(2,4,5-trimethylphenyl)prop-2-enyl]carbamate
CID 169469367
9H-fluoren-9-ylmethyl N-[3-(4-methoxy-3,5-dimethylphenyl)prop-2-enyl]carbamate
CID 169469871
9H-fluoren-9-ylmethyl N-[3-(2,4-dichloro-3-pyridinyl)prop-2-enyl]carbamate
CID 169469283
9H-fluoren-9-ylmethyl N-[3-(2-ethoxynaphthalen-1-yl)prop-2-enyl]carbamate
CID 169470705
9H-fluoren-9-ylmethyl N-[3-(2-aminophenyl)prop-2-enyl]carbamate
CID 169469017
9H-fluoren-9-ylmethyl N-[3-[2,4,6-tri(propan-2-yl)phenyl]prop-2-enyl]carbamate
CID 169470557
9H-fluoren-9-ylmethyl N-[3-(2-methyl-4-pyridinyl)prop-2-enyl]carbamate
CID 169469022
9H-fluoren-9-ylmethyl N-[3-(3-methyl-4-pyridinyl)prop-2-enyl]carbamate
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Frequently Asked Questions

What is the IUPAC name of 9H-fluoren-9-ylmethyl N-[3-(3,5-dimethyl-1H-pyrazol-4-yl)prop-2-enyl]carbamate?
The IUPAC name of 9H-fluoren-9-ylmethyl N-[3-(3,5-dimethyl-1H-pyrazol-4-yl)prop-2-enyl]carbamate (CID 169468972) is 9H-fluoren-9-ylmethyl N-[3-(3,5-dimethyl-1H-pyrazol-4-yl)prop-2-enyl]carbamate.
What is the SMILES notation for 9H-fluoren-9-ylmethyl N-[3-(3,5-dimethyl-1H-pyrazol-4-yl)prop-2-enyl]carbamate?
The canonical SMILES for 9H-fluoren-9-ylmethyl N-[3-(3,5-dimethyl-1H-pyrazol-4-yl)prop-2-enyl]carbamate is Cc1n[nH]c(C)c1C=CCNC(=O)OCC1c2ccccc2-c2ccccc21.
What is the InChIKey of 9H-fluoren-9-ylmethyl N-[3-(3,5-dimethyl-1H-pyrazol-4-yl)prop-2-enyl]carbamate?
The InChIKey is RNASFZIACJTNFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N3O2/c1-15-17(16(2)26-25-15)12-7-13-24-23(27)28-14-22-20-10-5-3-8-18(20)19-9-4-6-11-21(19)22/h3-12,22H,13-14H2,1-2H3,(H,24,27)(H,25,26).
What are the key properties of 9H-fluoren-9-ylmethyl N-[3-(3,5-dimethyl-1H-pyrazol-4-yl)prop-2-enyl]carbamate?
9H-fluoren-9-ylmethyl N-[3-(3,5-dimethyl-1H-pyrazol-4-yl)prop-2-enyl]carbamate has a molecular weight of 373.46 g/mol, XLogP of 4.58, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9H-fluoren-9-ylmethyl N-[3-(3,5-dimethyl-1H-pyrazol-4-yl)prop-2-enyl]carbamate is sourced from PubChem (CID 169468972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).