N-(5-methyl-2-phenylpyrazol-3-yl)-2-[3-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-1-yl]acetamide

C19H18F3N5O — CID 653865

IUPACN-(5-methyl-2-phenylpyrazol-3-yl)-2-[3-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-1-yl]acetamide
SMILESCc1cc(NC(=O)Cn2nc(C(F)(F)F)c3c2CCC3)n(-c2ccccc2)n1
InChIInChI=1S/C19H18F3N5O/c1-12-10-16(27(24-12)13-6-3-2-4-7-13)23-17(28)11-26-15-9-5-8-14(15)18(25-26)19(20,21)22/h2-4,6-7,10H,5,8-9,11H2,1H3,(H,23,28)
InChIKeyHSOJPCOXPFHWMD-UHFFFAOYSA-N
MW389.38 g/mol
LogP3.52
Rot. Bonds4

About N-(5-methyl-2-phenylpyrazol-3-yl)-2-[3-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-1-yl]acetamide

N-(5-methyl-2-phenylpyrazol-3-yl)-2-[3-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-1-yl]acetamide (PubChem CID 653865) has the molecular formula C19H18F3N5O and a molecular weight of 389.38 g/mol. Its IUPAC name is N-(5-methyl-2-phenylpyrazol-3-yl)-2-[3-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-1-yl]acetamide.

Molecular Properties

Compound NameN-(5-methyl-2-phenylpyrazol-3-yl)-2-[3-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-1-yl]acetamide
PubChem CID653865
Molecular FormulaC19H18F3N5O
Molecular Weight389.38 g/mol
Exact Mass389.15
IUPAC NameN-(5-methyl-2-phenylpyrazol-3-yl)-2-[3-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-1-yl]acetamide
SMILESCc1cc(NC(=O)Cn2nc(C(F)(F)F)c3c2CCC3)n(-c2ccccc2)n1
InChIInChI=1S/C19H18F3N5O/c1-12-10-16(27(24-12)13-6-3-2-4-7-13)23-17(28)11-26-15-9-5-8-14(15)18(25-26)19(20,21)22/h2-4,6-7,10H,5,8-9,11H2,1H3,(H,23,28)
InChIKeyHSOJPCOXPFHWMD-UHFFFAOYSA-N
XLogP3.52
TPSA64.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.38
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(5-methyl-2-phenylpyrazol-3-yl)-2-[3-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-1-yl]acetamide?
The IUPAC name of N-(5-methyl-2-phenylpyrazol-3-yl)-2-[3-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-1-yl]acetamide (CID 653865) is N-(5-methyl-2-phenylpyrazol-3-yl)-2-[3-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-1-yl]acetamide.
What is the SMILES notation for N-(5-methyl-2-phenylpyrazol-3-yl)-2-[3-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-1-yl]acetamide?
The canonical SMILES for N-(5-methyl-2-phenylpyrazol-3-yl)-2-[3-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-1-yl]acetamide is Cc1cc(NC(=O)Cn2nc(C(F)(F)F)c3c2CCC3)n(-c2ccccc2)n1.
What is the InChIKey of N-(5-methyl-2-phenylpyrazol-3-yl)-2-[3-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-1-yl]acetamide?
The InChIKey is HSOJPCOXPFHWMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18F3N5O/c1-12-10-16(27(24-12)13-6-3-2-4-7-13)23-17(28)11-26-15-9-5-8-14(15)18(25-26)19(20,21)22/h2-4,6-7,10H,5,8-9,11H2,1H3,(H,23,28).
What are the key properties of N-(5-methyl-2-phenylpyrazol-3-yl)-2-[3-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-1-yl]acetamide?
N-(5-methyl-2-phenylpyrazol-3-yl)-2-[3-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-1-yl]acetamide has a molecular weight of 389.38 g/mol, XLogP of 3.52, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-methyl-2-phenylpyrazol-3-yl)-2-[3-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-1-yl]acetamide is sourced from PubChem (CID 653865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).