4-[3-[1-(4-fluorophenyl)cyclopropyl]-4-methyl-1H-pyrazol-5-yl]cyclohexan-1-one

C19H21FN2O — CID 59694392

IUPAC4-[3-[1-(4-fluorophenyl)cyclopropyl]-4-methyl-1H-pyrazol-5-yl]cyclohexan-1-one
SMILESCc1c(C2(c3ccc(F)cc3)CC2)n[nH]c1C1CCC(=O)CC1
InChIInChI=1S/C19H21FN2O/c1-12-17(13-2-8-16(23)9-3-13)21-22-18(12)19(10-11-19)14-4-6-15(20)7-5-14/h4-7,13H,2-3,8-11H2,1H3,(H,21,22)
InChIKeyXJYGICAWGAXINC-UHFFFAOYSA-N
MW312.39 g/mol
LogP4.16
Rot. Bonds3

About 4-[3-[1-(4-fluorophenyl)cyclopropyl]-4-methyl-1H-pyrazol-5-yl]cyclohexan-1-one

4-[3-[1-(4-fluorophenyl)cyclopropyl]-4-methyl-1H-pyrazol-5-yl]cyclohexan-1-one (PubChem CID 59694392) has the molecular formula C19H21FN2O and a molecular weight of 312.39 g/mol. Its IUPAC name is 4-[3-[1-(4-fluorophenyl)cyclopropyl]-4-methyl-1H-pyrazol-5-yl]cyclohexan-1-one.

Molecular Properties

Compound Name4-[3-[1-(4-fluorophenyl)cyclopropyl]-4-methyl-1H-pyrazol-5-yl]cyclohexan-1-one
PubChem CID59694392
Molecular FormulaC19H21FN2O
Molecular Weight312.39 g/mol
Exact Mass312.16
IUPAC Name4-[3-[1-(4-fluorophenyl)cyclopropyl]-4-methyl-1H-pyrazol-5-yl]cyclohexan-1-one
SMILESCc1c(C2(c3ccc(F)cc3)CC2)n[nH]c1C1CCC(=O)CC1
InChIInChI=1S/C19H21FN2O/c1-12-17(13-2-8-16(23)9-3-13)21-22-18(12)19(10-11-19)14-4-6-15(20)7-5-14/h4-7,13H,2-3,8-11H2,1H3,(H,21,22)
InChIKeyXJYGICAWGAXINC-UHFFFAOYSA-N
XLogP4.16
TPSA45.75 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.39
LogP ≤ 54.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-[3-[1-(4-fluorophenyl)cyclopropyl]-4-methyl-1H-pyrazol-5-yl]cyclohexan-1-one?
The IUPAC name of 4-[3-[1-(4-fluorophenyl)cyclopropyl]-4-methyl-1H-pyrazol-5-yl]cyclohexan-1-one (CID 59694392) is 4-[3-[1-(4-fluorophenyl)cyclopropyl]-4-methyl-1H-pyrazol-5-yl]cyclohexan-1-one.
What is the SMILES notation for 4-[3-[1-(4-fluorophenyl)cyclopropyl]-4-methyl-1H-pyrazol-5-yl]cyclohexan-1-one?
The canonical SMILES for 4-[3-[1-(4-fluorophenyl)cyclopropyl]-4-methyl-1H-pyrazol-5-yl]cyclohexan-1-one is Cc1c(C2(c3ccc(F)cc3)CC2)n[nH]c1C1CCC(=O)CC1.
What is the InChIKey of 4-[3-[1-(4-fluorophenyl)cyclopropyl]-4-methyl-1H-pyrazol-5-yl]cyclohexan-1-one?
The InChIKey is XJYGICAWGAXINC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21FN2O/c1-12-17(13-2-8-16(23)9-3-13)21-22-18(12)19(10-11-19)14-4-6-15(20)7-5-14/h4-7,13H,2-3,8-11H2,1H3,(H,21,22).
What are the key properties of 4-[3-[1-(4-fluorophenyl)cyclopropyl]-4-methyl-1H-pyrazol-5-yl]cyclohexan-1-one?
4-[3-[1-(4-fluorophenyl)cyclopropyl]-4-methyl-1H-pyrazol-5-yl]cyclohexan-1-one has a molecular weight of 312.39 g/mol, XLogP of 4.16, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-[1-(4-fluorophenyl)cyclopropyl]-4-methyl-1H-pyrazol-5-yl]cyclohexan-1-one is sourced from PubChem (CID 59694392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).