N-[(1S)-1-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-4,4,4-trifluorobutanamide

C11H16F3N3O — CID 99949285

IUPACN-[(1S)-1-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-4,4,4-trifluorobutanamide
SMILESCc1n[nH]c(C)c1[C@H](C)NC(=O)CCC(F)(F)F
InChIInChI=1S/C11H16F3N3O/c1-6(10-7(2)16-17-8(10)3)15-9(18)4-5-11(12,13)14/h6H,4-5H2,1-3H3,(H,15,18)(H,16,17)/t6-/m0/s1
InChIKeyUSBLTOAGKYVRJA-LURJTMIESA-N
MW263.26 g/mol
LogP2.55
Rot. Bonds4

About N-[(1S)-1-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-4,4,4-trifluorobutanamide

N-[(1S)-1-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-4,4,4-trifluorobutanamide (PubChem CID 99949285) has the molecular formula C11H16F3N3O and a molecular weight of 263.26 g/mol. Its IUPAC name is N-[(1S)-1-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-4,4,4-trifluorobutanamide.

Molecular Properties

Compound NameN-[(1S)-1-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-4,4,4-trifluorobutanamide
PubChem CID99949285
Molecular FormulaC11H16F3N3O
Molecular Weight263.26 g/mol
Exact Mass263.12
IUPAC NameN-[(1S)-1-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-4,4,4-trifluorobutanamide
SMILESCc1n[nH]c(C)c1[C@H](C)NC(=O)CCC(F)(F)F
InChIInChI=1S/C11H16F3N3O/c1-6(10-7(2)16-17-8(10)3)15-9(18)4-5-11(12,13)14/h6H,4-5H2,1-3H3,(H,15,18)(H,16,17)/t6-/m0/s1
InChIKeyUSBLTOAGKYVRJA-LURJTMIESA-N
XLogP2.55
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.26
LogP ≤ 52.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze N-[(1S)-1-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-4,4,4-trifluorobutanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-4,4,4-trifluorobutanamide?
The IUPAC name of N-[(1S)-1-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-4,4,4-trifluorobutanamide (CID 99949285) is N-[(1S)-1-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-4,4,4-trifluorobutanamide.
What is the SMILES notation for N-[(1S)-1-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-4,4,4-trifluorobutanamide?
The canonical SMILES for N-[(1S)-1-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-4,4,4-trifluorobutanamide is Cc1n[nH]c(C)c1[C@H](C)NC(=O)CCC(F)(F)F.
What is the InChIKey of N-[(1S)-1-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-4,4,4-trifluorobutanamide?
The InChIKey is USBLTOAGKYVRJA-LURJTMIESA-N. The full InChI is InChI=1S/C11H16F3N3O/c1-6(10-7(2)16-17-8(10)3)15-9(18)4-5-11(12,13)14/h6H,4-5H2,1-3H3,(H,15,18)(H,16,17)/t6-/m0/s1.
What are the key properties of N-[(1S)-1-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-4,4,4-trifluorobutanamide?
N-[(1S)-1-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-4,4,4-trifluorobutanamide has a molecular weight of 263.26 g/mol, XLogP of 2.55, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-4,4,4-trifluorobutanamide is sourced from PubChem (CID 99949285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).