N-cyclopropyl-3,3,3-trifluoro-2-hydroxy-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]propanamide

C13H18F3N3O2 — CID 56879611

IUPACN-cyclopropyl-3,3,3-trifluoro-2-hydroxy-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]propanamide
SMILESCc1nn(C)c(C)c1CN(C(=O)C(O)C(F)(F)F)C1CC1
InChIInChI=1S/C13H18F3N3O2/c1-7-10(8(2)18(3)17-7)6-19(9-4-5-9)12(21)11(20)13(14,15)16/h9,11,20H,4-6H2,1-3H3
InChIKeyOLUDXUMKUYVKEN-UHFFFAOYSA-N
MW305.30 g/mol
LogP1.45
Rot. Bonds4

About N-cyclopropyl-3,3,3-trifluoro-2-hydroxy-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]propanamide

N-cyclopropyl-3,3,3-trifluoro-2-hydroxy-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]propanamide (PubChem CID 56879611) has the molecular formula C13H18F3N3O2 and a molecular weight of 305.30 g/mol. Its IUPAC name is N-cyclopropyl-3,3,3-trifluoro-2-hydroxy-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]propanamide.

Molecular Properties

Compound NameN-cyclopropyl-3,3,3-trifluoro-2-hydroxy-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]propanamide
PubChem CID56879611
Molecular FormulaC13H18F3N3O2
Molecular Weight305.30 g/mol
Exact Mass305.14
IUPAC NameN-cyclopropyl-3,3,3-trifluoro-2-hydroxy-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]propanamide
SMILESCc1nn(C)c(C)c1CN(C(=O)C(O)C(F)(F)F)C1CC1
InChIInChI=1S/C13H18F3N3O2/c1-7-10(8(2)18(3)17-7)6-19(9-4-5-9)12(21)11(20)13(14,15)16/h9,11,20H,4-6H2,1-3H3
InChIKeyOLUDXUMKUYVKEN-UHFFFAOYSA-N
XLogP1.45
TPSA58.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.30
LogP ≤ 51.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-N-cyclopropyl-2-(2-fluorophenoxy)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]propanamide
CID 51597958
1-cyclopropyl-3-[4-(difluoromethoxy)phenyl]-1-[(1,3,5-trimethylpyrazol-4-yl)methyl]urea
CID 72910145
N-cyclopropyl-5-methyl-1-propyl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]pyrazole-4-carboxamide
CID 72884307
trans-(1R,2R)-N-cyclopropyl-2-phenyl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]cyclopropane-1-carboxamide
CID 56743077
N-cyclopropyl-3-[(2S)-2-methyl-2,3-dihydro-1-benzofuran-5-yl]-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]propanamide
CID 92604487
1-cyclopropyl-3-[(3S)-3-morpholin-4-ylbutyl]-1-[(1,3,5-trimethylpyrazol-4-yl)methyl]urea
CID 125438066
4-(2-amino-2-oxoethoxy)-N-cyclopropyl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]benzamide
CID 50951963
(2R)-N-methyl-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]propanamide
CID 51390145
1-cyclopropyl-1-[(2S)-3-methylbutan-2-yl]-3-[(2S)-1-(1,3,5-trimethylpyrazol-4-yl)propan-2-yl]urea
CID 97048821
3-[[cyclopropyl-[(1,3,5-trimethylpyrazol-4-yl)methyl]carbamoyl]amino]-4-methylbenzamide
CID 72890543
N-cyclopropyl-5-pyridin-4-yl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]pyrazolidine-3-carboxamide
CID 134127915
1-cyclopropyl-3-[(2,3-dichlorophenyl)methyl]-1-[(1,3,5-trimethylpyrazol-4-yl)methyl]urea
CID 122556095

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-3,3,3-trifluoro-2-hydroxy-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]propanamide?
The IUPAC name of N-cyclopropyl-3,3,3-trifluoro-2-hydroxy-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]propanamide (CID 56879611) is N-cyclopropyl-3,3,3-trifluoro-2-hydroxy-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]propanamide.
What is the SMILES notation for N-cyclopropyl-3,3,3-trifluoro-2-hydroxy-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]propanamide?
The canonical SMILES for N-cyclopropyl-3,3,3-trifluoro-2-hydroxy-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]propanamide is Cc1nn(C)c(C)c1CN(C(=O)C(O)C(F)(F)F)C1CC1.
What is the InChIKey of N-cyclopropyl-3,3,3-trifluoro-2-hydroxy-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]propanamide?
The InChIKey is OLUDXUMKUYVKEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18F3N3O2/c1-7-10(8(2)18(3)17-7)6-19(9-4-5-9)12(21)11(20)13(14,15)16/h9,11,20H,4-6H2,1-3H3.
What are the key properties of N-cyclopropyl-3,3,3-trifluoro-2-hydroxy-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]propanamide?
N-cyclopropyl-3,3,3-trifluoro-2-hydroxy-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]propanamide has a molecular weight of 305.30 g/mol, XLogP of 1.45, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-3,3,3-trifluoro-2-hydroxy-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]propanamide is sourced from PubChem (CID 56879611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).