(3R,4S)-4-(1-methylpyrazol-4-yl)-N-[2-oxo-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]pyrrolidine-3-carboxamide

C15H20F3N5O2 — CID 120932603

IUPAC(3R,4S)-4-(1-methylpyrazol-4-yl)-N-[2-oxo-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]pyrrolidine-3-carboxamide
SMILESCn1cc([C@H]2CNC[C@@H]2C(=O)NC2CCN(CC(F)(F)F)C2=O)cn1
InChIInChI=1S/C15H20F3N5O2/c1-22-7-9(4-20-22)10-5-19-6-11(10)13(24)21-12-2-3-23(14(12)25)8-15(16,17)18/h4,7,10-12,19H,2-3,5-6,8H2,1H3,(H,21,24)/t10-,11+,12?/m1/s1
InChIKeyLCNWBGBGEZQQSF-UBNQGINQSA-N
MW359.35 g/mol
LogP0.00
Rot. Bonds4

About (3R,4S)-4-(1-methylpyrazol-4-yl)-N-[2-oxo-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]pyrrolidine-3-carboxamide

(3R,4S)-4-(1-methylpyrazol-4-yl)-N-[2-oxo-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]pyrrolidine-3-carboxamide (PubChem CID 120932603) has the molecular formula C15H20F3N5O2 and a molecular weight of 359.35 g/mol. Its IUPAC name is (3R,4S)-4-(1-methylpyrazol-4-yl)-N-[2-oxo-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]pyrrolidine-3-carboxamide.

Molecular Properties

Compound Name(3R,4S)-4-(1-methylpyrazol-4-yl)-N-[2-oxo-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]pyrrolidine-3-carboxamide
PubChem CID120932603
Molecular FormulaC15H20F3N5O2
Molecular Weight359.35 g/mol
Exact Mass359.16
IUPAC Name(3R,4S)-4-(1-methylpyrazol-4-yl)-N-[2-oxo-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]pyrrolidine-3-carboxamide
SMILESCn1cc([C@H]2CNC[C@@H]2C(=O)NC2CCN(CC(F)(F)F)C2=O)cn1
InChIInChI=1S/C15H20F3N5O2/c1-22-7-9(4-20-22)10-5-19-6-11(10)13(24)21-12-2-3-23(14(12)25)8-15(16,17)18/h4,7,10-12,19H,2-3,5-6,8H2,1H3,(H,21,24)/t10-,11+,12?/m1/s1
InChIKeyLCNWBGBGEZQQSF-UBNQGINQSA-N
XLogP0.00
TPSA79.26 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.35
LogP ≤ 50.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(3R,4S)-N-[1-(4-chlorophenyl)-2-oxopyrrolidin-3-yl]-4-(1-methylpyrazol-4-yl)pyrrolidine-3-carboxamide;hydrochloride
CID 120934464
1-[3-(1-methylpyrazol-4-yl)propyl]-3-[(3S)-2-oxo-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]urea
CID 96524449
(3R,4S)-4-(1-methylpyrazol-4-yl)-N-(2-oxo-1-phenylpiperidin-3-yl)pyrrolidine-3-carboxamide;hydrochloride
CID 120932997
(3R,4S)-N-cyclobutyl-4-(1-methylpyrazol-4-yl)pyrrolidine-3-carboxamide;hydrochloride
CID 120924751
(3R,4S)-N-(2,5-dioxo-1-propan-2-ylpyrrolidin-3-yl)-4-(1-methylpyrazol-4-yl)pyrrolidine-3-carboxamide
CID 120937101
(3R,4S)-N-(2,5-dioxo-1-propan-2-ylpyrrolidin-3-yl)-4-(1-methylpyrazol-4-yl)pyrrolidine-3-carboxamide;hydrochloride
CID 120937100
(3R,4S)-N-(2-methylcyclopropyl)-4-(1-methylpyrazol-4-yl)pyrrolidine-3-carboxamide
CID 120925495
(3R,4S)-N-(cyclopropylmethyl)-4-(1-methylpyrazol-4-yl)pyrrolidine-3-carboxamide;hydrochloride
CID 120920996
(3R,4S)-N-(3-methylcyclobutyl)-4-(1-methylpyrazol-4-yl)pyrrolidine-3-carboxamide
CID 120933475
(3R,4S)-N-[4-(2-methylbutan-2-yl)cyclohexyl]-4-(1-methylpyrazol-4-yl)pyrrolidine-3-carboxamide
CID 120919648
(3R,4S)-4-(1-methylpyrazol-4-yl)-N-propylpyrrolidine-3-carboxamide
CID 120917720
(3R,4S)-N-(5-methyl-2-oxo-1-phenylpyrrolidin-3-yl)-4-(1-methylpyrazol-4-yl)pyrrolidine-3-carboxamide
CID 120935424

Frequently Asked Questions

What is the IUPAC name of (3R,4S)-4-(1-methylpyrazol-4-yl)-N-[2-oxo-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]pyrrolidine-3-carboxamide?
The IUPAC name of (3R,4S)-4-(1-methylpyrazol-4-yl)-N-[2-oxo-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]pyrrolidine-3-carboxamide (CID 120932603) is (3R,4S)-4-(1-methylpyrazol-4-yl)-N-[2-oxo-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]pyrrolidine-3-carboxamide.
What is the SMILES notation for (3R,4S)-4-(1-methylpyrazol-4-yl)-N-[2-oxo-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]pyrrolidine-3-carboxamide?
The canonical SMILES for (3R,4S)-4-(1-methylpyrazol-4-yl)-N-[2-oxo-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]pyrrolidine-3-carboxamide is Cn1cc([C@H]2CNC[C@@H]2C(=O)NC2CCN(CC(F)(F)F)C2=O)cn1.
What is the InChIKey of (3R,4S)-4-(1-methylpyrazol-4-yl)-N-[2-oxo-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]pyrrolidine-3-carboxamide?
The InChIKey is LCNWBGBGEZQQSF-UBNQGINQSA-N. The full InChI is InChI=1S/C15H20F3N5O2/c1-22-7-9(4-20-22)10-5-19-6-11(10)13(24)21-12-2-3-23(14(12)25)8-15(16,17)18/h4,7,10-12,19H,2-3,5-6,8H2,1H3,(H,21,24)/t10-,11+,12?/m1/s1.
What are the key properties of (3R,4S)-4-(1-methylpyrazol-4-yl)-N-[2-oxo-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]pyrrolidine-3-carboxamide?
(3R,4S)-4-(1-methylpyrazol-4-yl)-N-[2-oxo-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]pyrrolidine-3-carboxamide has a molecular weight of 359.35 g/mol, XLogP of 0.00, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4S)-4-(1-methylpyrazol-4-yl)-N-[2-oxo-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]pyrrolidine-3-carboxamide is sourced from PubChem (CID 120932603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).