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

C18H24F3N5O — CID 29092551

IUPAC(2S)-N-[(2S)-1-(3-methylpyrazol-1-yl)propan-2-yl]-2-[3-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-1-yl]butanamide
SMILESCC[C@@H](C(=O)N[C@@H](C)Cn1ccc(C)n1)n1nc(C(F)(F)F)c2c1CCC2
InChIInChI=1S/C18H24F3N5O/c1-4-14(17(27)22-12(3)10-25-9-8-11(2)23-25)26-15-7-5-6-13(15)16(24-26)18(19,20)21/h8-9,12,14H,4-7,10H2,1-3H3,(H,22,27)/t12-,14-/m0/s1
InChIKeyWDEXBTLUNVBJMB-JSGCOSHPSA-N
MW383.42 g/mol
LogP3.05
Rot. Bonds6

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

(2S)-N-[(2S)-1-(3-methylpyrazol-1-yl)propan-2-yl]-2-[3-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-1-yl]butanamide (PubChem CID 29092551) has the molecular formula C18H24F3N5O and a molecular weight of 383.42 g/mol. Its IUPAC name is (2S)-N-[(2S)-1-(3-methylpyrazol-1-yl)propan-2-yl]-2-[3-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-1-yl]butanamide.

Molecular Properties

Compound Name(2S)-N-[(2S)-1-(3-methylpyrazol-1-yl)propan-2-yl]-2-[3-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-1-yl]butanamide
PubChem CID29092551
Molecular FormulaC18H24F3N5O
Molecular Weight383.42 g/mol
Exact Mass383.19
IUPAC Name(2S)-N-[(2S)-1-(3-methylpyrazol-1-yl)propan-2-yl]-2-[3-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-1-yl]butanamide
SMILESCC[C@@H](C(=O)N[C@@H](C)Cn1ccc(C)n1)n1nc(C(F)(F)F)c2c1CCC2
InChIInChI=1S/C18H24F3N5O/c1-4-14(17(27)22-12(3)10-25-9-8-11(2)23-25)26-15-7-5-6-13(15)16(24-26)18(19,20)21/h8-9,12,14H,4-7,10H2,1-3H3,(H,22,27)/t12-,14-/m0/s1
InChIKeyWDEXBTLUNVBJMB-JSGCOSHPSA-N
XLogP3.05
TPSA64.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.42
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(2S)-N-[(2S)-1-(3,5-dimethylpyrazol-1-yl)propan-2-yl]-2-[3-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-1-yl]butanamide
CID 29092547
(2R)-N-[(2S)-2-methyl-3-pyrazol-1-ylpropyl]-2-[3-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-1-yl]butanamide
CID 29092574
(2R)-2-[3-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-1-yl]butanoic acid
CID 42573998
N-(5-methyl-1-propan-2-ylpyrazol-3-yl)-2-[3-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-1-yl]butanamide
CID 19591170
(2R)-N-[(2S)-3-(4-chloropyrazol-1-yl)-2-methylpropyl]-2-[3-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-1-yl]butanamide
CID 29092578
(2R)-N-[3-(3-nitropyrazol-1-yl)propyl]-2-[3-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-1-yl]butanamide
CID 29092584
N-[1-(methoxymethyl)-3,5-dimethylpyrazol-4-yl]-2-[3-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-1-yl]butanamide
CID 19591031
N-[4-chloro-1-[(1-methylpyrazol-4-yl)methyl]pyrazol-3-yl]-2-[3-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-1-yl]butanamide
CID 19591022
N-[2-(3-methylpyrazol-1-yl)ethyl]-2-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]acetamide
CID 16677485
N-[(2R)-2-methyl-3-[3-(trifluoromethyl)pyrazol-1-yl]propyl]-2-[3-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-1-yl]acetamide
CID 29092452
N-butan-2-yl-2-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]acetamide
CID 3136365
1-propan-2-yl-3-(trifluoromethyl)-4,5,6,7,8,9-hexahydrocycloocta[d]pyrazole
CID 137483098

Frequently Asked Questions

What is the IUPAC name of (2S)-N-[(2S)-1-(3-methylpyrazol-1-yl)propan-2-yl]-2-[3-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-1-yl]butanamide?
The IUPAC name of (2S)-N-[(2S)-1-(3-methylpyrazol-1-yl)propan-2-yl]-2-[3-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-1-yl]butanamide (CID 29092551) is (2S)-N-[(2S)-1-(3-methylpyrazol-1-yl)propan-2-yl]-2-[3-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-1-yl]butanamide.
What is the SMILES notation for (2S)-N-[(2S)-1-(3-methylpyrazol-1-yl)propan-2-yl]-2-[3-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-1-yl]butanamide?
The canonical SMILES for (2S)-N-[(2S)-1-(3-methylpyrazol-1-yl)propan-2-yl]-2-[3-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-1-yl]butanamide is CC[C@@H](C(=O)N[C@@H](C)Cn1ccc(C)n1)n1nc(C(F)(F)F)c2c1CCC2.
What is the InChIKey of (2S)-N-[(2S)-1-(3-methylpyrazol-1-yl)propan-2-yl]-2-[3-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-1-yl]butanamide?
The InChIKey is WDEXBTLUNVBJMB-JSGCOSHPSA-N. The full InChI is InChI=1S/C18H24F3N5O/c1-4-14(17(27)22-12(3)10-25-9-8-11(2)23-25)26-15-7-5-6-13(15)16(24-26)18(19,20)21/h8-9,12,14H,4-7,10H2,1-3H3,(H,22,27)/t12-,14-/m0/s1.
What are the key properties of (2S)-N-[(2S)-1-(3-methylpyrazol-1-yl)propan-2-yl]-2-[3-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-1-yl]butanamide?
(2S)-N-[(2S)-1-(3-methylpyrazol-1-yl)propan-2-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 3.05, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-[(2S)-1-(3-methylpyrazol-1-yl)propan-2-yl]-2-[3-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-1-yl]butanamide is sourced from PubChem (CID 29092551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).