N-[(3R,4S)-4-cyclopropyl-1-[(1,5-dimethylpyrazol-4-yl)methyl]pyrrolidin-3-yl]-3,3,3-trifluoropropanamide

C16H23F3N4O — CID 72880673

IUPACN-[(3R,4S)-4-cyclopropyl-1-[(1,5-dimethylpyrazol-4-yl)methyl]pyrrolidin-3-yl]-3,3,3-trifluoropropanamide
SMILESCc1c(CN2C[C@H](NC(=O)CC(F)(F)F)[C@@H](C3CC3)C2)cnn1C
InChIInChI=1S/C16H23F3N4O/c1-10-12(6-20-22(10)2)7-23-8-13(11-3-4-11)14(9-23)21-15(24)5-16(17,18)19/h6,11,13-14H,3-5,7-9H2,1-2H3,(H,21,24)/t13-,14+/m1/s1
InChIKeyQXRNEHZOOOMVCH-KGLIPLIRSA-N
MW344.38 g/mol
LogP2.01
Rot. Bonds5

About N-[(3R,4S)-4-cyclopropyl-1-[(1,5-dimethylpyrazol-4-yl)methyl]pyrrolidin-3-yl]-3,3,3-trifluoropropanamide

N-[(3R,4S)-4-cyclopropyl-1-[(1,5-dimethylpyrazol-4-yl)methyl]pyrrolidin-3-yl]-3,3,3-trifluoropropanamide (PubChem CID 72880673) has the molecular formula C16H23F3N4O and a molecular weight of 344.38 g/mol. Its IUPAC name is N-[(3R,4S)-4-cyclopropyl-1-[(1,5-dimethylpyrazol-4-yl)methyl]pyrrolidin-3-yl]-3,3,3-trifluoropropanamide.

Molecular Properties

Compound NameN-[(3R,4S)-4-cyclopropyl-1-[(1,5-dimethylpyrazol-4-yl)methyl]pyrrolidin-3-yl]-3,3,3-trifluoropropanamide
PubChem CID72880673
Molecular FormulaC16H23F3N4O
Molecular Weight344.38 g/mol
Exact Mass344.18
IUPAC NameN-[(3R,4S)-4-cyclopropyl-1-[(1,5-dimethylpyrazol-4-yl)methyl]pyrrolidin-3-yl]-3,3,3-trifluoropropanamide
SMILESCc1c(CN2C[C@H](NC(=O)CC(F)(F)F)[C@@H](C3CC3)C2)cnn1C
InChIInChI=1S/C16H23F3N4O/c1-10-12(6-20-22(10)2)7-23-8-13(11-3-4-11)14(9-23)21-15(24)5-16(17,18)19/h6,11,13-14H,3-5,7-9H2,1-2H3,(H,21,24)/t13-,14+/m1/s1
InChIKeyQXRNEHZOOOMVCH-KGLIPLIRSA-N
XLogP2.01
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.38
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-cyclopentyl-1-[(1,5-dimethylpyrazol-4-yl)methyl]-2-methylpyrrolidine-2-carboxamide
CID 110244221
N-(rel-(3R,4S)-4-cyclopropyl-1-{[1-(2-hydroxyethyl)-3-methyl-1H-pyrazol-4-yl]methyl}-3-pyrrolidinyl)-2-(methylthio)acetamide hydrochloride
CID 72870478
(1S,11R)-2-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-2,9-diazabicyclo[9.3.0]tetradecan-10-one
CID 110199320
(1S,11R)-2-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-2,9-diazabicyclo[9.3.0]tetradecan-10-one
CID 110199321
N-[(1-ethyl-5-methylpyrazol-4-yl)methyl]cyclopentanecarboxamide
CID 1758538
1-[[1-methyl-5-(trifluoromethyl)pyrazol-4-yl]methyl]-N-(2,2,2-trifluoroethyl)pyrrolidine-2-carboxamide
CID 71855102
N-{rel-(3R,4S)-4-cyclopropyl-1-[(1-ethyl-1H-pyrazol-4-yl)methyl]-3-pyrrolidinyl}-4,4,4-trifluorobutanamide hydrochloride
CID 72896904
(5S)-2-[[3-(difluoromethyl)-1-methylpyrazol-4-yl]methyl]-2,7-diazaspiro[4.4]nonan-8-one
CID 164630835
(3S)-N-(cyclopropylmethyl)-1-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-3-fluoropiperidine-3-carboxamide
CID 164635298
N-(4,4-difluorocyclohexyl)-2-(3,4-dimethylpyrazol-1-yl)acetamide
CID 166473915
N-[cyano-(1-cyclopropyl-5-methylpyrazol-4-yl)methyl]formamide;ethane;2-methylpropane;2,2,2-trifluoro-N-[2-oxo-2-[(4R)-3,3,4-trimethylpyrrolidin-1-yl]ethyl]acetamide
CID 167521893
N-[cyano-(1-cyclopropyl-5-methylpyrazol-4-yl)methyl]formamide;2-methylpropane;2,2,2-trifluoro-N-[2-oxo-2-[(4R)-3,3,4-trimethylpyrrolidin-1-yl]ethyl]acetamide
CID 167522177

Frequently Asked Questions

What is the IUPAC name of N-[(3R,4S)-4-cyclopropyl-1-[(1,5-dimethylpyrazol-4-yl)methyl]pyrrolidin-3-yl]-3,3,3-trifluoropropanamide?
The IUPAC name of N-[(3R,4S)-4-cyclopropyl-1-[(1,5-dimethylpyrazol-4-yl)methyl]pyrrolidin-3-yl]-3,3,3-trifluoropropanamide (CID 72880673) is N-[(3R,4S)-4-cyclopropyl-1-[(1,5-dimethylpyrazol-4-yl)methyl]pyrrolidin-3-yl]-3,3,3-trifluoropropanamide.
What is the SMILES notation for N-[(3R,4S)-4-cyclopropyl-1-[(1,5-dimethylpyrazol-4-yl)methyl]pyrrolidin-3-yl]-3,3,3-trifluoropropanamide?
The canonical SMILES for N-[(3R,4S)-4-cyclopropyl-1-[(1,5-dimethylpyrazol-4-yl)methyl]pyrrolidin-3-yl]-3,3,3-trifluoropropanamide is Cc1c(CN2C[C@H](NC(=O)CC(F)(F)F)[C@@H](C3CC3)C2)cnn1C.
What is the InChIKey of N-[(3R,4S)-4-cyclopropyl-1-[(1,5-dimethylpyrazol-4-yl)methyl]pyrrolidin-3-yl]-3,3,3-trifluoropropanamide?
The InChIKey is QXRNEHZOOOMVCH-KGLIPLIRSA-N. The full InChI is InChI=1S/C16H23F3N4O/c1-10-12(6-20-22(10)2)7-23-8-13(11-3-4-11)14(9-23)21-15(24)5-16(17,18)19/h6,11,13-14H,3-5,7-9H2,1-2H3,(H,21,24)/t13-,14+/m1/s1.
What are the key properties of N-[(3R,4S)-4-cyclopropyl-1-[(1,5-dimethylpyrazol-4-yl)methyl]pyrrolidin-3-yl]-3,3,3-trifluoropropanamide?
N-[(3R,4S)-4-cyclopropyl-1-[(1,5-dimethylpyrazol-4-yl)methyl]pyrrolidin-3-yl]-3,3,3-trifluoropropanamide has a molecular weight of 344.38 g/mol, XLogP of 2.01, 5 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-[(1,5-dimethylpyrazol-4-yl)methyl]pyrrolidin-3-yl]-3,3,3-trifluoropropanamide is sourced from PubChem (CID 72880673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).