(3R,4S)-N-(3-methyl-1-morpholin-4-yl-1-oxobutan-2-yl)-4-(1-methylpyrazol-4-yl)pyrrolidine-3-carboxamide

C18H29N5O3 — CID 120935701

IUPAC(3R,4S)-N-(3-methyl-1-morpholin-4-yl-1-oxobutan-2-yl)-4-(1-methylpyrazol-4-yl)pyrrolidine-3-carboxamide
SMILESCC(C)C(NC(=O)[C@H]1CNC[C@@H]1c1cnn(C)c1)C(=O)N1CCOCC1
InChIInChI=1S/C18H29N5O3/c1-12(2)16(18(25)23-4-6-26-7-5-23)21-17(24)15-10-19-9-14(15)13-8-20-22(3)11-13/h8,11-12,14-16,19H,4-7,9-10H2,1-3H3,(H,21,24)/t14-,15+,16?/m1/s1
InChIKeyOJZROGNXTXBTSH-YSPPHNQVSA-N
MW363.46 g/mol
LogP-0.28
Rot. Bonds5

About (3R,4S)-N-(3-methyl-1-morpholin-4-yl-1-oxobutan-2-yl)-4-(1-methylpyrazol-4-yl)pyrrolidine-3-carboxamide

(3R,4S)-N-(3-methyl-1-morpholin-4-yl-1-oxobutan-2-yl)-4-(1-methylpyrazol-4-yl)pyrrolidine-3-carboxamide (PubChem CID 120935701) has the molecular formula C18H29N5O3 and a molecular weight of 363.46 g/mol. Its IUPAC name is (3R,4S)-N-(3-methyl-1-morpholin-4-yl-1-oxobutan-2-yl)-4-(1-methylpyrazol-4-yl)pyrrolidine-3-carboxamide.

Molecular Properties

Compound Name(3R,4S)-N-(3-methyl-1-morpholin-4-yl-1-oxobutan-2-yl)-4-(1-methylpyrazol-4-yl)pyrrolidine-3-carboxamide
PubChem CID120935701
Molecular FormulaC18H29N5O3
Molecular Weight363.46 g/mol
Exact Mass363.23
IUPAC Name(3R,4S)-N-(3-methyl-1-morpholin-4-yl-1-oxobutan-2-yl)-4-(1-methylpyrazol-4-yl)pyrrolidine-3-carboxamide
SMILESCC(C)C(NC(=O)[C@H]1CNC[C@@H]1c1cnn(C)c1)C(=O)N1CCOCC1
InChIInChI=1S/C18H29N5O3/c1-12(2)16(18(25)23-4-6-26-7-5-23)21-17(24)15-10-19-9-14(15)13-8-20-22(3)11-13/h8,11-12,14-16,19H,4-7,9-10H2,1-3H3,(H,21,24)/t14-,15+,16?/m1/s1
InChIKeyOJZROGNXTXBTSH-YSPPHNQVSA-N
XLogP-0.28
TPSA88.49 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.46
LogP ≤ 5-0.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

(3R,4S)-N-[2,2-dimethyl-1-(1-methylpyrazol-4-yl)propyl]-4-(1-methylpyrazol-4-yl)pyrrolidine-3-carboxamide
CID 120937117
(3R,4S)-N-(2-methyl-1-phenylpropyl)-4-(1-methylpyrazol-4-yl)pyrrolidine-3-carboxamide
CID 120919890
[1-[(3R,4S)-4-(1-methylpyrazol-4-yl)pyrrolidine-3-carbonyl]piperidin-3-yl]-morpholin-4-ylmethanone
CID 120920826
(3R,4S)-4-(1-methylpyrazol-4-yl)-N-[3-(morpholine-4-carbonyl)phenyl]pyrrolidine-3-carboxamide;hydrochloride
CID 120922668
(3R,4S)-N-(3-cyclohexylbutan-2-yl)-4-(1-methylpyrazol-4-yl)pyrrolidine-3-carboxamide
CID 120935798
[1-[(3R,4S)-4-(1-methylpyrazol-4-yl)pyrrolidine-3-carbonyl]piperidin-2-yl]-morpholin-4-ylmethanone;hydrochloride
CID 120930846
[(3R,4S)-4-(1-methylpyrazol-4-yl)pyrrolidin-3-yl]-pyrrolidin-1-ylmethanone
CID 120916885
(3R,4S)-N-benzhydryl-4-(1-methylpyrazol-4-yl)pyrrolidine-3-carboxamide;hydrochloride
CID 120917707
(3R,4S)-N-(4-methoxy-4-methylpentan-2-yl)-4-(1-methylpyrazol-4-yl)pyrrolidine-3-carboxamide
CID 120935022
(3R,4S)-N-[1-(4-chlorophenyl)ethyl]-4-(1-methylpyrazol-4-yl)pyrrolidine-3-carboxamide;hydrochloride
CID 120918884
(3R,4S)-N-[1-(diethylamino)propan-2-yl]-4-(1-methylpyrazol-4-yl)pyrrolidine-3-carboxamide;dihydrochloride
CID 120939840
(3R,4S)-N-[1-(4-bromophenyl)ethyl]-4-(1-methylpyrazol-4-yl)pyrrolidine-3-carboxamide;hydrochloride
CID 120928224

Frequently Asked Questions

What is the IUPAC name of (3R,4S)-N-(3-methyl-1-morpholin-4-yl-1-oxobutan-2-yl)-4-(1-methylpyrazol-4-yl)pyrrolidine-3-carboxamide?
The IUPAC name of (3R,4S)-N-(3-methyl-1-morpholin-4-yl-1-oxobutan-2-yl)-4-(1-methylpyrazol-4-yl)pyrrolidine-3-carboxamide (CID 120935701) is (3R,4S)-N-(3-methyl-1-morpholin-4-yl-1-oxobutan-2-yl)-4-(1-methylpyrazol-4-yl)pyrrolidine-3-carboxamide.
What is the SMILES notation for (3R,4S)-N-(3-methyl-1-morpholin-4-yl-1-oxobutan-2-yl)-4-(1-methylpyrazol-4-yl)pyrrolidine-3-carboxamide?
The canonical SMILES for (3R,4S)-N-(3-methyl-1-morpholin-4-yl-1-oxobutan-2-yl)-4-(1-methylpyrazol-4-yl)pyrrolidine-3-carboxamide is CC(C)C(NC(=O)[C@H]1CNC[C@@H]1c1cnn(C)c1)C(=O)N1CCOCC1.
What is the InChIKey of (3R,4S)-N-(3-methyl-1-morpholin-4-yl-1-oxobutan-2-yl)-4-(1-methylpyrazol-4-yl)pyrrolidine-3-carboxamide?
The InChIKey is OJZROGNXTXBTSH-YSPPHNQVSA-N. The full InChI is InChI=1S/C18H29N5O3/c1-12(2)16(18(25)23-4-6-26-7-5-23)21-17(24)15-10-19-9-14(15)13-8-20-22(3)11-13/h8,11-12,14-16,19H,4-7,9-10H2,1-3H3,(H,21,24)/t14-,15+,16?/m1/s1.
What are the key properties of (3R,4S)-N-(3-methyl-1-morpholin-4-yl-1-oxobutan-2-yl)-4-(1-methylpyrazol-4-yl)pyrrolidine-3-carboxamide?
(3R,4S)-N-(3-methyl-1-morpholin-4-yl-1-oxobutan-2-yl)-4-(1-methylpyrazol-4-yl)pyrrolidine-3-carboxamide has a molecular weight of 363.46 g/mol, XLogP of -0.28, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4S)-N-(3-methyl-1-morpholin-4-yl-1-oxobutan-2-yl)-4-(1-methylpyrazol-4-yl)pyrrolidine-3-carboxamide is sourced from PubChem (CID 120935701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).