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

C18H24F3N5O — CID 19591170

IUPACN-(5-methyl-1-propan-2-ylpyrazol-3-yl)-2-[3-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-1-yl]butanamide
SMILESCCC(C(=O)Nc1cc(C)n(C(C)C)n1)n1nc(C(F)(F)F)c2c1CCC2
InChIInChI=1S/C18H24F3N5O/c1-5-13(17(27)22-15-9-11(4)25(23-15)10(2)3)26-14-8-6-7-12(14)16(24-26)18(19,20)21/h9-10,13H,5-8H2,1-4H3,(H,22,23,27)
InChIKeyMTRKAWUTCHKZFY-UHFFFAOYSA-N
MW383.42 g/mol
LogP4.07
Rot. Bonds5

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

N-(5-methyl-1-propan-2-ylpyrazol-3-yl)-2-[3-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-1-yl]butanamide (PubChem CID 19591170) has the molecular formula C18H24F3N5O and a molecular weight of 383.42 g/mol. Its IUPAC name is N-(5-methyl-1-propan-2-ylpyrazol-3-yl)-2-[3-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-1-yl]butanamide.

Molecular Properties

Compound NameN-(5-methyl-1-propan-2-ylpyrazol-3-yl)-2-[3-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-1-yl]butanamide
PubChem CID19591170
Molecular FormulaC18H24F3N5O
Molecular Weight383.42 g/mol
Exact Mass383.19
IUPAC NameN-(5-methyl-1-propan-2-ylpyrazol-3-yl)-2-[3-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-1-yl]butanamide
SMILESCCC(C(=O)Nc1cc(C)n(C(C)C)n1)n1nc(C(F)(F)F)c2c1CCC2
InChIInChI=1S/C18H24F3N5O/c1-5-13(17(27)22-15-9-11(4)25(23-15)10(2)3)26-14-8-6-7-12(14)16(24-26)18(19,20)21/h9-10,13H,5-8H2,1-4H3,(H,22,23,27)
InChIKeyMTRKAWUTCHKZFY-UHFFFAOYSA-N
XLogP4.07
TPSA64.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.42
LogP ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(5-methyl-1-propan-2-ylpyrazol-3-yl)-2-[3-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-1-yl]butanamide?
The IUPAC name of N-(5-methyl-1-propan-2-ylpyrazol-3-yl)-2-[3-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-1-yl]butanamide (CID 19591170) is N-(5-methyl-1-propan-2-ylpyrazol-3-yl)-2-[3-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-1-yl]butanamide.
What is the SMILES notation for N-(5-methyl-1-propan-2-ylpyrazol-3-yl)-2-[3-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-1-yl]butanamide?
The canonical SMILES for N-(5-methyl-1-propan-2-ylpyrazol-3-yl)-2-[3-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-1-yl]butanamide is CCC(C(=O)Nc1cc(C)n(C(C)C)n1)n1nc(C(F)(F)F)c2c1CCC2.
What is the InChIKey of N-(5-methyl-1-propan-2-ylpyrazol-3-yl)-2-[3-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-1-yl]butanamide?
The InChIKey is MTRKAWUTCHKZFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24F3N5O/c1-5-13(17(27)22-15-9-11(4)25(23-15)10(2)3)26-14-8-6-7-12(14)16(24-26)18(19,20)21/h9-10,13H,5-8H2,1-4H3,(H,22,23,27).
What are the key properties of N-(5-methyl-1-propan-2-ylpyrazol-3-yl)-2-[3-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-1-yl]butanamide?
N-(5-methyl-1-propan-2-ylpyrazol-3-yl)-2-[3-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-1-yl]butanamide has a molecular weight of 383.42 g/mol, XLogP of 4.07, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-methyl-1-propan-2-ylpyrazol-3-yl)-2-[3-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-1-yl]butanamide is sourced from PubChem (CID 19591170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).