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

C18H24F3N5O — CID 19590853

IUPACN-(2-methyl-3-pyrazol-1-ylpropyl)-2-[3-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-1-yl]butanamide
SMILESCCC(C(=O)NCC(C)Cn1cccn1)n1nc(C(F)(F)F)c2c1CCC2
InChIInChI=1S/C18H24F3N5O/c1-3-14(17(27)22-10-12(2)11-25-9-5-8-23-25)26-15-7-4-6-13(15)16(24-26)18(19,20)21/h5,8-9,12,14H,3-4,6-7,10-11H2,1-2H3,(H,22,27)
InChIKeyHCIHGYDTZFOJCB-UHFFFAOYSA-N
MW383.42 g/mol
LogP2.99
Rot. Bonds7

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

N-(2-methyl-3-pyrazol-1-ylpropyl)-2-[3-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-1-yl]butanamide (PubChem CID 19590853) has the molecular formula C18H24F3N5O and a molecular weight of 383.42 g/mol. Its IUPAC name is N-(2-methyl-3-pyrazol-1-ylpropyl)-2-[3-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-1-yl]butanamide.

Molecular Properties

Compound NameN-(2-methyl-3-pyrazol-1-ylpropyl)-2-[3-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-1-yl]butanamide
PubChem CID19590853
Molecular FormulaC18H24F3N5O
Molecular Weight383.42 g/mol
Exact Mass383.19
IUPAC NameN-(2-methyl-3-pyrazol-1-ylpropyl)-2-[3-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-1-yl]butanamide
SMILESCCC(C(=O)NCC(C)Cn1cccn1)n1nc(C(F)(F)F)c2c1CCC2
InChIInChI=1S/C18H24F3N5O/c1-3-14(17(27)22-10-12(2)11-25-9-5-8-23-25)26-15-7-4-6-13(15)16(24-26)18(19,20)21/h5,8-9,12,14H,3-4,6-7,10-11H2,1-2H3,(H,22,27)
InChIKeyHCIHGYDTZFOJCB-UHFFFAOYSA-N
XLogP2.99
TPSA64.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.42
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(2-methyl-3-pyrazol-1-ylpropyl)-2-[3-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-1-yl]butanamide?
The IUPAC name of N-(2-methyl-3-pyrazol-1-ylpropyl)-2-[3-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-1-yl]butanamide (CID 19590853) is N-(2-methyl-3-pyrazol-1-ylpropyl)-2-[3-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-1-yl]butanamide.
What is the SMILES notation for N-(2-methyl-3-pyrazol-1-ylpropyl)-2-[3-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-1-yl]butanamide?
The canonical SMILES for N-(2-methyl-3-pyrazol-1-ylpropyl)-2-[3-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-1-yl]butanamide is CCC(C(=O)NCC(C)Cn1cccn1)n1nc(C(F)(F)F)c2c1CCC2.
What is the InChIKey of N-(2-methyl-3-pyrazol-1-ylpropyl)-2-[3-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-1-yl]butanamide?
The InChIKey is HCIHGYDTZFOJCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24F3N5O/c1-3-14(17(27)22-10-12(2)11-25-9-5-8-23-25)26-15-7-4-6-13(15)16(24-26)18(19,20)21/h5,8-9,12,14H,3-4,6-7,10-11H2,1-2H3,(H,22,27).
What are the key properties of N-(2-methyl-3-pyrazol-1-ylpropyl)-2-[3-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-1-yl]butanamide?
N-(2-methyl-3-pyrazol-1-ylpropyl)-2-[3-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-1-yl]butanamide has a molecular weight of 383.42 g/mol, XLogP of 2.99, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methyl-3-pyrazol-1-ylpropyl)-2-[3-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-1-yl]butanamide is sourced from PubChem (CID 19590853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).