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

C17H26ClF3N4O — CID 154897348

IUPACN-[(3R,4S)-4-cyclopropyl-1-[(1-ethylpyrazol-4-yl)methyl]pyrrolidin-3-yl]-4,4,4-trifluorobutanamide;hydrochloride
SMILESCCn1cc(CN2C[C@H](NC(=O)CCC(F)(F)F)[C@@H](C3CC3)C2)cn1.Cl
InChIInChI=1S/C17H25F3N4O.ClH/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);1H/t14-,15+;/m1./s1
InChIKeyZAXYVIGECAHQLO-LIOBNPLQSA-N
MW394.87 g/mol
LogP2.99
Rot. Bonds7

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

N-[(3R,4S)-4-cyclopropyl-1-[(1-ethylpyrazol-4-yl)methyl]pyrrolidin-3-yl]-4,4,4-trifluorobutanamide;hydrochloride (PubChem CID 154897348) has the molecular formula C17H26ClF3N4O and a molecular weight of 394.87 g/mol. Its IUPAC name is N-[(3R,4S)-4-cyclopropyl-1-[(1-ethylpyrazol-4-yl)methyl]pyrrolidin-3-yl]-4,4,4-trifluorobutanamide;hydrochloride.

Molecular Properties

Compound NameN-[(3R,4S)-4-cyclopropyl-1-[(1-ethylpyrazol-4-yl)methyl]pyrrolidin-3-yl]-4,4,4-trifluorobutanamide;hydrochloride
PubChem CID154897348
Molecular FormulaC17H26ClF3N4O
Molecular Weight394.87 g/mol
Exact Mass394.17
IUPAC NameN-[(3R,4S)-4-cyclopropyl-1-[(1-ethylpyrazol-4-yl)methyl]pyrrolidin-3-yl]-4,4,4-trifluorobutanamide;hydrochloride
SMILESCCn1cc(CN2C[C@H](NC(=O)CCC(F)(F)F)[C@@H](C3CC3)C2)cn1.Cl
InChIInChI=1S/C17H25F3N4O.ClH/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);1H/t14-,15+;/m1./s1
InChIKeyZAXYVIGECAHQLO-LIOBNPLQSA-N
XLogP2.99
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.87
LogP ≤ 52.99
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;hydrochloride 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;hydrochloride?
The IUPAC name of N-[(3R,4S)-4-cyclopropyl-1-[(1-ethylpyrazol-4-yl)methyl]pyrrolidin-3-yl]-4,4,4-trifluorobutanamide;hydrochloride (CID 154897348) is N-[(3R,4S)-4-cyclopropyl-1-[(1-ethylpyrazol-4-yl)methyl]pyrrolidin-3-yl]-4,4,4-trifluorobutanamide;hydrochloride.
What is the SMILES notation for N-[(3R,4S)-4-cyclopropyl-1-[(1-ethylpyrazol-4-yl)methyl]pyrrolidin-3-yl]-4,4,4-trifluorobutanamide;hydrochloride?
The canonical SMILES for N-[(3R,4S)-4-cyclopropyl-1-[(1-ethylpyrazol-4-yl)methyl]pyrrolidin-3-yl]-4,4,4-trifluorobutanamide;hydrochloride is CCn1cc(CN2C[C@H](NC(=O)CCC(F)(F)F)[C@@H](C3CC3)C2)cn1.Cl.
What is the InChIKey of N-[(3R,4S)-4-cyclopropyl-1-[(1-ethylpyrazol-4-yl)methyl]pyrrolidin-3-yl]-4,4,4-trifluorobutanamide;hydrochloride?
The InChIKey is ZAXYVIGECAHQLO-LIOBNPLQSA-N. The full InChI is InChI=1S/C17H25F3N4O.ClH/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);1H/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;hydrochloride?
N-[(3R,4S)-4-cyclopropyl-1-[(1-ethylpyrazol-4-yl)methyl]pyrrolidin-3-yl]-4,4,4-trifluorobutanamide;hydrochloride has a molecular weight of 394.87 g/mol, XLogP of 2.99, 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;hydrochloride is sourced from PubChem (CID 154897348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).