2-ethoxy-N-[3-methyl-1-(5-propyl-1H-pyrazole-4-carbonyl)pyrrolidin-3-yl]propanamide

C17H28N4O3 — CID 166350503

IUPAC2-ethoxy-N-[3-methyl-1-(5-propyl-1H-pyrazole-4-carbonyl)pyrrolidin-3-yl]propanamide
SMILESCCCc1[nH]ncc1C(=O)N1CCC(C)(NC(=O)C(C)OCC)C1
InChIInChI=1S/C17H28N4O3/c1-5-7-14-13(10-18-20-14)16(23)21-9-8-17(4,11-21)19-15(22)12(3)24-6-2/h10,12H,5-9,11H2,1-4H3,(H,18,20)(H,19,22)
InChIKeyBOYUQOVBZPVDET-UHFFFAOYSA-N
MW336.44 g/mol
LogP1.51
Rot. Bonds7

About 2-ethoxy-N-[3-methyl-1-(5-propyl-1H-pyrazole-4-carbonyl)pyrrolidin-3-yl]propanamide

2-ethoxy-N-[3-methyl-1-(5-propyl-1H-pyrazole-4-carbonyl)pyrrolidin-3-yl]propanamide (PubChem CID 166350503) has the molecular formula C17H28N4O3 and a molecular weight of 336.44 g/mol. Its IUPAC name is 2-ethoxy-N-[3-methyl-1-(5-propyl-1H-pyrazole-4-carbonyl)pyrrolidin-3-yl]propanamide.

Molecular Properties

Compound Name2-ethoxy-N-[3-methyl-1-(5-propyl-1H-pyrazole-4-carbonyl)pyrrolidin-3-yl]propanamide
PubChem CID166350503
Molecular FormulaC17H28N4O3
Molecular Weight336.44 g/mol
Exact Mass336.22
IUPAC Name2-ethoxy-N-[3-methyl-1-(5-propyl-1H-pyrazole-4-carbonyl)pyrrolidin-3-yl]propanamide
SMILESCCCc1[nH]ncc1C(=O)N1CCC(C)(NC(=O)C(C)OCC)C1
InChIInChI=1S/C17H28N4O3/c1-5-7-14-13(10-18-20-14)16(23)21-9-8-17(4,11-21)19-15(22)12(3)24-6-2/h10,12H,5-9,11H2,1-4H3,(H,18,20)(H,19,22)
InChIKeyBOYUQOVBZPVDET-UHFFFAOYSA-N
XLogP1.51
TPSA87.32 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.44
LogP ≤ 51.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

7-propan-2-yl-2-(5-propyl-1H-pyrazole-4-carbonyl)-2,7-diazaspiro[4.5]decan-6-one
CID 72924434
1-oxa-8-azaspiro[4.5]decan-8-yl-(5-propyl-1H-pyrazol-4-yl)methanone
CID 56868207
7-(cyclopropylmethyl)-2-(5-propyl-1H-pyrazole-4-carbonyl)-2,7-diazaspiro[4.5]decan-6-one
CID 72883794
(5S)-7-(2-hydroxyethyl)-2-(5-propyl-1H-pyrazole-4-carbonyl)-2,7-diazaspiro[4.5]decan-6-one
CID 97126925
8-(5-propyl-1H-pyrazole-4-carbonyl)-1-oxa-8-azaspiro[4.5]decan-6-one
CID 132775762
(3R)-3-phenyl-8-(5-propyl-1H-pyrazole-4-carbonyl)-1,8-diazaspiro[4.5]decan-2-one
CID 97204422
[4-(1-hydroxy-2-phenylethyl)piperidin-1-yl]-(5-propyl-1H-pyrazol-4-yl)methanone
CID 70745523
N-[1-[2-(1-cyanocyclobutyl)acetyl]-3-methylpyrrolidin-3-yl]-2-ethoxybutanamide
CID 166372205
2-fluoro-6-[4-(5-propyl-1H-pyrazole-4-carbonyl)piperazin-1-yl]benzonitrile
CID 91661012
2-cyclobutyl-N-[3-methyl-1-(5-propan-2-yl-1H-pyrazole-3-carbonyl)pyrrolidin-3-yl]propanamide
CID 167869020
1-[(3,5-dimethylphenyl)methyl]-4-(5-propyl-1H-pyrazole-4-carbonyl)piperazin-2-one
CID 70767260
2-(5-propyl-1H-pyrazole-4-carbonyl)-3,4-dihydro-1H-isoquinoline-7-carboxamide
CID 166259909

Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-N-[3-methyl-1-(5-propyl-1H-pyrazole-4-carbonyl)pyrrolidin-3-yl]propanamide?
The IUPAC name of 2-ethoxy-N-[3-methyl-1-(5-propyl-1H-pyrazole-4-carbonyl)pyrrolidin-3-yl]propanamide (CID 166350503) is 2-ethoxy-N-[3-methyl-1-(5-propyl-1H-pyrazole-4-carbonyl)pyrrolidin-3-yl]propanamide.
What is the SMILES notation for 2-ethoxy-N-[3-methyl-1-(5-propyl-1H-pyrazole-4-carbonyl)pyrrolidin-3-yl]propanamide?
The canonical SMILES for 2-ethoxy-N-[3-methyl-1-(5-propyl-1H-pyrazole-4-carbonyl)pyrrolidin-3-yl]propanamide is CCCc1[nH]ncc1C(=O)N1CCC(C)(NC(=O)C(C)OCC)C1.
What is the InChIKey of 2-ethoxy-N-[3-methyl-1-(5-propyl-1H-pyrazole-4-carbonyl)pyrrolidin-3-yl]propanamide?
The InChIKey is BOYUQOVBZPVDET-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N4O3/c1-5-7-14-13(10-18-20-14)16(23)21-9-8-17(4,11-21)19-15(22)12(3)24-6-2/h10,12H,5-9,11H2,1-4H3,(H,18,20)(H,19,22).
What are the key properties of 2-ethoxy-N-[3-methyl-1-(5-propyl-1H-pyrazole-4-carbonyl)pyrrolidin-3-yl]propanamide?
2-ethoxy-N-[3-methyl-1-(5-propyl-1H-pyrazole-4-carbonyl)pyrrolidin-3-yl]propanamide has a molecular weight of 336.44 g/mol, XLogP of 1.51, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-N-[3-methyl-1-(5-propyl-1H-pyrazole-4-carbonyl)pyrrolidin-3-yl]propanamide is sourced from PubChem (CID 166350503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).