N-ethyl-4-[3-(4-methylpyrazol-1-yl)propanoylamino]-1-(oxan-4-yl)pyrrolidine-2-carboxamide

C19H31N5O3 — CID 156606450

IUPACN-ethyl-4-[3-(4-methylpyrazol-1-yl)propanoylamino]-1-(oxan-4-yl)pyrrolidine-2-carboxamide
SMILESCCNC(=O)C1CC(NC(=O)CCn2cc(C)cn2)CN1C1CCOCC1
InChIInChI=1S/C19H31N5O3/c1-3-20-19(26)17-10-15(13-24(17)16-5-8-27-9-6-16)22-18(25)4-7-23-12-14(2)11-21-23/h11-12,15-17H,3-10,13H2,1-2H3,(H,20,26)(H,22,25)
InChIKeyJWTKRSOCWXLRAG-UHFFFAOYSA-N
MW377.49 g/mol
LogP0.46
Rot. Bonds7

About N-ethyl-4-[3-(4-methylpyrazol-1-yl)propanoylamino]-1-(oxan-4-yl)pyrrolidine-2-carboxamide

N-ethyl-4-[3-(4-methylpyrazol-1-yl)propanoylamino]-1-(oxan-4-yl)pyrrolidine-2-carboxamide (PubChem CID 156606450) has the molecular formula C19H31N5O3 and a molecular weight of 377.49 g/mol. Its IUPAC name is N-ethyl-4-[3-(4-methylpyrazol-1-yl)propanoylamino]-1-(oxan-4-yl)pyrrolidine-2-carboxamide.

Molecular Properties

Compound NameN-ethyl-4-[3-(4-methylpyrazol-1-yl)propanoylamino]-1-(oxan-4-yl)pyrrolidine-2-carboxamide
PubChem CID156606450
Molecular FormulaC19H31N5O3
Molecular Weight377.49 g/mol
Exact Mass377.24
IUPAC NameN-ethyl-4-[3-(4-methylpyrazol-1-yl)propanoylamino]-1-(oxan-4-yl)pyrrolidine-2-carboxamide
SMILESCCNC(=O)C1CC(NC(=O)CCn2cc(C)cn2)CN1C1CCOCC1
InChIInChI=1S/C19H31N5O3/c1-3-20-19(26)17-10-15(13-24(17)16-5-8-27-9-6-16)22-18(25)4-7-23-12-14(2)11-21-23/h11-12,15-17H,3-10,13H2,1-2H3,(H,20,26)(H,22,25)
InChIKeyJWTKRSOCWXLRAG-UHFFFAOYSA-N
XLogP0.46
TPSA88.49 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.49
LogP ≤ 50.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

(2S,4S)-4-[[2-(3,5-dimethyl-1,2-oxazol-4-yl)acetyl]amino]-N-ethyl-1-(oxan-4-yl)pyrrolidine-2-carboxamide
CID 74245482
N-cyclopropyl-3-(4-methylpyrazol-1-yl)propanamide
CID 19559575
4-chloro-N-[(3S,5S)-5-(ethylcarbamoyl)-1-(oxan-4-yl)pyrrolidin-3-yl]-1H-pyrazole-5-carboxamide
CID 72879381
(2S,4S)-N-ethyl-4-[(5-ethylthiophene-2-carbonyl)amino]-1-(oxan-4-yl)pyrrolidine-2-carboxamide
CID 72886263
N-[(3S,5S)-5-(ethylcarbamoyl)-1-(oxan-4-yl)pyrrolidin-3-yl]-2-methoxypyridine-4-carboxamide
CID 72937225
1-ethyl-N-[(3S,5S)-5-(ethylcarbamoyl)-1-(1-methylpiperidin-4-yl)pyrrolidin-3-yl]pyrazole-4-carboxamide
CID 74231149
N-[(3S,5S)-5-(ethylcarbamoyl)-1-(1-ethylpiperidin-4-yl)pyrrolidin-3-yl]-2-methylpyrazole-3-carboxamide
CID 74238460
1-cyclopropyl-3-[3-(4-methylpyrazol-1-yl)propanoylamino]thiourea
CID 4775106
(2S,4R)-1-cyclopentyl-N-ethyl-4-[(4-ethyl-5-methylthiophene-3-carbonyl)amino]pyrrolidine-2-carboxamide
CID 72890501
N-[(3S,4R)-1-[2-(methylamino)-2-oxoethyl]-4-propan-2-ylpyrrolidin-3-yl]-3-(4-methylpyrazol-1-yl)propanamide
CID 133119467
N-[2-(4-methylpyrazol-1-yl)ethyl]morpholine-4-carboxamide
CID 113238079
(6S)-1-[2-(4-methylpyrazol-1-yl)acetyl]-4-(oxan-4-yl)-1,4-diazepane-6-carboxamide
CID 124940394

Frequently Asked Questions

What is the IUPAC name of N-ethyl-4-[3-(4-methylpyrazol-1-yl)propanoylamino]-1-(oxan-4-yl)pyrrolidine-2-carboxamide?
The IUPAC name of N-ethyl-4-[3-(4-methylpyrazol-1-yl)propanoylamino]-1-(oxan-4-yl)pyrrolidine-2-carboxamide (CID 156606450) is N-ethyl-4-[3-(4-methylpyrazol-1-yl)propanoylamino]-1-(oxan-4-yl)pyrrolidine-2-carboxamide.
What is the SMILES notation for N-ethyl-4-[3-(4-methylpyrazol-1-yl)propanoylamino]-1-(oxan-4-yl)pyrrolidine-2-carboxamide?
The canonical SMILES for N-ethyl-4-[3-(4-methylpyrazol-1-yl)propanoylamino]-1-(oxan-4-yl)pyrrolidine-2-carboxamide is CCNC(=O)C1CC(NC(=O)CCn2cc(C)cn2)CN1C1CCOCC1.
What is the InChIKey of N-ethyl-4-[3-(4-methylpyrazol-1-yl)propanoylamino]-1-(oxan-4-yl)pyrrolidine-2-carboxamide?
The InChIKey is JWTKRSOCWXLRAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H31N5O3/c1-3-20-19(26)17-10-15(13-24(17)16-5-8-27-9-6-16)22-18(25)4-7-23-12-14(2)11-21-23/h11-12,15-17H,3-10,13H2,1-2H3,(H,20,26)(H,22,25).
What are the key properties of N-ethyl-4-[3-(4-methylpyrazol-1-yl)propanoylamino]-1-(oxan-4-yl)pyrrolidine-2-carboxamide?
N-ethyl-4-[3-(4-methylpyrazol-1-yl)propanoylamino]-1-(oxan-4-yl)pyrrolidine-2-carboxamide has a molecular weight of 377.49 g/mol, XLogP of 0.46, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-4-[3-(4-methylpyrazol-1-yl)propanoylamino]-1-(oxan-4-yl)pyrrolidine-2-carboxamide is sourced from PubChem (CID 156606450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).