N-[1-(2-fluorophenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-4-yl]-1-methyl-5-(trifluoromethyl)imidazole-4-carboxamide

C18H15F4N5O — CID 176715011

IUPACN-[1-(2-fluorophenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-4-yl]-1-methyl-5-(trifluoromethyl)imidazole-4-carboxamide
SMILESCn1cnc(C(=O)NC2CCc3c2cnn3-c2ccccc2F)c1C(F)(F)F
InChIInChI=1S/C18H15F4N5O/c1-26-9-23-15(16(26)18(20,21)22)17(28)25-12-6-7-13-10(12)8-24-27(13)14-5-3-2-4-11(14)19/h2-5,8-9,12H,6-7H2,1H3,(H,25,28)
InChIKeyQTACCFHLPBBIIH-UHFFFAOYSA-N
MW393.34 g/mol
LogP3.18
Rot. Bonds3

About N-[1-(2-fluorophenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-4-yl]-1-methyl-5-(trifluoromethyl)imidazole-4-carboxamide

N-[1-(2-fluorophenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-4-yl]-1-methyl-5-(trifluoromethyl)imidazole-4-carboxamide (PubChem CID 176715011) has the molecular formula C18H15F4N5O and a molecular weight of 393.34 g/mol. Its IUPAC name is N-[1-(2-fluorophenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-4-yl]-1-methyl-5-(trifluoromethyl)imidazole-4-carboxamide.

Molecular Properties

Compound NameN-[1-(2-fluorophenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-4-yl]-1-methyl-5-(trifluoromethyl)imidazole-4-carboxamide
PubChem CID176715011
Molecular FormulaC18H15F4N5O
Molecular Weight393.34 g/mol
Exact Mass393.12
IUPAC NameN-[1-(2-fluorophenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-4-yl]-1-methyl-5-(trifluoromethyl)imidazole-4-carboxamide
SMILESCn1cnc(C(=O)NC2CCc3c2cnn3-c2ccccc2F)c1C(F)(F)F
InChIInChI=1S/C18H15F4N5O/c1-26-9-23-15(16(26)18(20,21)22)17(28)25-12-6-7-13-10(12)8-24-27(13)14-5-3-2-4-11(14)19/h2-5,8-9,12H,6-7H2,1H3,(H,25,28)
InChIKeyQTACCFHLPBBIIH-UHFFFAOYSA-N
XLogP3.18
TPSA64.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.34
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[1-(2-fluorophenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-4-yl]-1-methyl-5-(trifluoromethyl)imidazole-4-carboxamide?
The IUPAC name of N-[1-(2-fluorophenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-4-yl]-1-methyl-5-(trifluoromethyl)imidazole-4-carboxamide (CID 176715011) is N-[1-(2-fluorophenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-4-yl]-1-methyl-5-(trifluoromethyl)imidazole-4-carboxamide.
What is the SMILES notation for N-[1-(2-fluorophenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-4-yl]-1-methyl-5-(trifluoromethyl)imidazole-4-carboxamide?
The canonical SMILES for N-[1-(2-fluorophenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-4-yl]-1-methyl-5-(trifluoromethyl)imidazole-4-carboxamide is Cn1cnc(C(=O)NC2CCc3c2cnn3-c2ccccc2F)c1C(F)(F)F.
What is the InChIKey of N-[1-(2-fluorophenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-4-yl]-1-methyl-5-(trifluoromethyl)imidazole-4-carboxamide?
The InChIKey is QTACCFHLPBBIIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15F4N5O/c1-26-9-23-15(16(26)18(20,21)22)17(28)25-12-6-7-13-10(12)8-24-27(13)14-5-3-2-4-11(14)19/h2-5,8-9,12H,6-7H2,1H3,(H,25,28).
What are the key properties of N-[1-(2-fluorophenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-4-yl]-1-methyl-5-(trifluoromethyl)imidazole-4-carboxamide?
N-[1-(2-fluorophenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-4-yl]-1-methyl-5-(trifluoromethyl)imidazole-4-carboxamide has a molecular weight of 393.34 g/mol, XLogP of 3.18, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-fluorophenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-4-yl]-1-methyl-5-(trifluoromethyl)imidazole-4-carboxamide is sourced from PubChem (CID 176715011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).