N-[(3R,4S)-4-cyclopropyl-1-[(1-ethylpyrazol-4-yl)methyl]pyrrolidin-3-yl]-4,4,4-trifluorobutanamide

C17H25F3N4O — CID 72896904

IUPACN-[(3R,4S)-4-cyclopropyl-1-[(1-ethylpyrazol-4-yl)methyl]pyrrolidin-3-yl]-4,4,4-trifluorobutanamide
SMILESCCn1cc(CN2C[C@H](NC(=O)CCC(F)(F)F)[C@@H](C3CC3)C2)cn1
InChIInChI=1S/C17H25F3N4O/c1-2-24-9-12(7-21-24)8-23-10-14(13-3-4-13)15(11-23)22-16(25)5-6-17(18,19)20/h7,9,13-15H,2-6,8,10-11H2,1H3,(H,22,25)/t14-,15+/m1/s1
InChIKeyCBYNKMQIECRWMK-CABCVRRESA-N
MW358.41 g/mol
LogP2.57
Rot. Bonds7

About N-[(3R,4S)-4-cyclopropyl-1-[(1-ethylpyrazol-4-yl)methyl]pyrrolidin-3-yl]-4,4,4-trifluorobutanamide

N-[(3R,4S)-4-cyclopropyl-1-[(1-ethylpyrazol-4-yl)methyl]pyrrolidin-3-yl]-4,4,4-trifluorobutanamide (PubChem CID 72896904) has the molecular formula C17H25F3N4O and a molecular weight of 358.41 g/mol. Its IUPAC name is N-[(3R,4S)-4-cyclopropyl-1-[(1-ethylpyrazol-4-yl)methyl]pyrrolidin-3-yl]-4,4,4-trifluorobutanamide.

Molecular Properties

Compound NameN-[(3R,4S)-4-cyclopropyl-1-[(1-ethylpyrazol-4-yl)methyl]pyrrolidin-3-yl]-4,4,4-trifluorobutanamide
PubChem CID72896904
Molecular FormulaC17H25F3N4O
Molecular Weight358.41 g/mol
Exact Mass358.20
IUPAC NameN-[(3R,4S)-4-cyclopropyl-1-[(1-ethylpyrazol-4-yl)methyl]pyrrolidin-3-yl]-4,4,4-trifluorobutanamide
SMILESCCn1cc(CN2C[C@H](NC(=O)CCC(F)(F)F)[C@@H](C3CC3)C2)cn1
InChIInChI=1S/C17H25F3N4O/c1-2-24-9-12(7-21-24)8-23-10-14(13-3-4-13)15(11-23)22-16(25)5-6-17(18,19)20/h7,9,13-15H,2-6,8,10-11H2,1H3,(H,22,25)/t14-,15+/m1/s1
InChIKeyCBYNKMQIECRWMK-CABCVRRESA-N
XLogP2.57
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.41
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[(3R,4S)-4-cyclopropyl-1-[(1-ethylpyrazol-4-yl)methyl]pyrrolidin-3-yl]-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-[(3R,4S)-4-cyclopropyl-1-[(1-ethylpyrazol-4-yl)methyl]pyrrolidin-3-yl]-4,4,4-trifluorobutanamide?
The IUPAC name of N-[(3R,4S)-4-cyclopropyl-1-[(1-ethylpyrazol-4-yl)methyl]pyrrolidin-3-yl]-4,4,4-trifluorobutanamide (CID 72896904) is N-[(3R,4S)-4-cyclopropyl-1-[(1-ethylpyrazol-4-yl)methyl]pyrrolidin-3-yl]-4,4,4-trifluorobutanamide.
What is the SMILES notation for N-[(3R,4S)-4-cyclopropyl-1-[(1-ethylpyrazol-4-yl)methyl]pyrrolidin-3-yl]-4,4,4-trifluorobutanamide?
The canonical SMILES for N-[(3R,4S)-4-cyclopropyl-1-[(1-ethylpyrazol-4-yl)methyl]pyrrolidin-3-yl]-4,4,4-trifluorobutanamide is CCn1cc(CN2C[C@H](NC(=O)CCC(F)(F)F)[C@@H](C3CC3)C2)cn1.
What is the InChIKey of N-[(3R,4S)-4-cyclopropyl-1-[(1-ethylpyrazol-4-yl)methyl]pyrrolidin-3-yl]-4,4,4-trifluorobutanamide?
The InChIKey is CBYNKMQIECRWMK-CABCVRRESA-N. The full InChI is InChI=1S/C17H25F3N4O/c1-2-24-9-12(7-21-24)8-23-10-14(13-3-4-13)15(11-23)22-16(25)5-6-17(18,19)20/h7,9,13-15H,2-6,8,10-11H2,1H3,(H,22,25)/t14-,15+/m1/s1.
What are the key properties of N-[(3R,4S)-4-cyclopropyl-1-[(1-ethylpyrazol-4-yl)methyl]pyrrolidin-3-yl]-4,4,4-trifluorobutanamide?
N-[(3R,4S)-4-cyclopropyl-1-[(1-ethylpyrazol-4-yl)methyl]pyrrolidin-3-yl]-4,4,4-trifluorobutanamide has a molecular weight of 358.41 g/mol, XLogP of 2.57, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3R,4S)-4-cyclopropyl-1-[(1-ethylpyrazol-4-yl)methyl]pyrrolidin-3-yl]-4,4,4-trifluorobutanamide is sourced from PubChem (CID 72896904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).