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

C17H22F3N5O — CID 19590896

IUPACN-(1-pyrazol-1-ylpropan-2-yl)-2-[3-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-1-yl]butanamide
SMILESCCC(C(=O)NC(C)Cn1cccn1)n1nc(C(F)(F)F)c2c1CCC2
InChIInChI=1S/C17H22F3N5O/c1-3-13(16(26)22-11(2)10-24-9-5-8-21-24)25-14-7-4-6-12(14)15(23-25)17(18,19)20/h5,8-9,11,13H,3-4,6-7,10H2,1-2H3,(H,22,26)
InChIKeyHNGPSSOFYJZRTB-UHFFFAOYSA-N
MW369.39 g/mol
LogP2.74
Rot. Bonds6

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

N-(1-pyrazol-1-ylpropan-2-yl)-2-[3-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-1-yl]butanamide (PubChem CID 19590896) has the molecular formula C17H22F3N5O and a molecular weight of 369.39 g/mol. Its IUPAC name is N-(1-pyrazol-1-ylpropan-2-yl)-2-[3-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-1-yl]butanamide.

Molecular Properties

Compound NameN-(1-pyrazol-1-ylpropan-2-yl)-2-[3-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-1-yl]butanamide
PubChem CID19590896
Molecular FormulaC17H22F3N5O
Molecular Weight369.39 g/mol
Exact Mass369.18
IUPAC NameN-(1-pyrazol-1-ylpropan-2-yl)-2-[3-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-1-yl]butanamide
SMILESCCC(C(=O)NC(C)Cn1cccn1)n1nc(C(F)(F)F)c2c1CCC2
InChIInChI=1S/C17H22F3N5O/c1-3-13(16(26)22-11(2)10-24-9-5-8-21-24)25-14-7-4-6-12(14)15(23-25)17(18,19)20/h5,8-9,11,13H,3-4,6-7,10H2,1-2H3,(H,22,26)
InChIKeyHNGPSSOFYJZRTB-UHFFFAOYSA-N
XLogP2.74
TPSA64.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.39
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(1-pyrazol-1-ylpropan-2-yl)-2-[3-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-1-yl]butanamide?
The IUPAC name of N-(1-pyrazol-1-ylpropan-2-yl)-2-[3-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-1-yl]butanamide (CID 19590896) is N-(1-pyrazol-1-ylpropan-2-yl)-2-[3-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-1-yl]butanamide.
What is the SMILES notation for N-(1-pyrazol-1-ylpropan-2-yl)-2-[3-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-1-yl]butanamide?
The canonical SMILES for N-(1-pyrazol-1-ylpropan-2-yl)-2-[3-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-1-yl]butanamide is CCC(C(=O)NC(C)Cn1cccn1)n1nc(C(F)(F)F)c2c1CCC2.
What is the InChIKey of N-(1-pyrazol-1-ylpropan-2-yl)-2-[3-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-1-yl]butanamide?
The InChIKey is HNGPSSOFYJZRTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22F3N5O/c1-3-13(16(26)22-11(2)10-24-9-5-8-21-24)25-14-7-4-6-12(14)15(23-25)17(18,19)20/h5,8-9,11,13H,3-4,6-7,10H2,1-2H3,(H,22,26).
What are the key properties of N-(1-pyrazol-1-ylpropan-2-yl)-2-[3-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-1-yl]butanamide?
N-(1-pyrazol-1-ylpropan-2-yl)-2-[3-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-1-yl]butanamide has a molecular weight of 369.39 g/mol, XLogP of 2.74, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-pyrazol-1-ylpropan-2-yl)-2-[3-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-1-yl]butanamide is sourced from PubChem (CID 19590896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).