N-[3-(2-oxopyrrolidin-1-yl)propyl]-2,4-dihydrochromeno[4,3-c]pyrazole-3-carboxamide

C18H20N4O3 — CID 20954207

IUPACN-[3-(2-oxopyrrolidin-1-yl)propyl]-2,4-dihydrochromeno[4,3-c]pyrazole-3-carboxamide
SMILESO=C(NCCCN1CCCC1=O)c1[nH]nc2c1COc1ccccc1-2
InChIInChI=1S/C18H20N4O3/c23-15-7-3-9-22(15)10-4-8-19-18(24)17-13-11-25-14-6-2-1-5-12(14)16(13)20-21-17/h1-2,5-6H,3-4,7-11H2,(H,19,24)(H,20,21)
InChIKeyNYWKEFJUOYQLKT-UHFFFAOYSA-N
MW340.38 g/mol
LogP1.71
Rot. Bonds5

About N-[3-(2-oxopyrrolidin-1-yl)propyl]-2,4-dihydrochromeno[4,3-c]pyrazole-3-carboxamide

N-[3-(2-oxopyrrolidin-1-yl)propyl]-2,4-dihydrochromeno[4,3-c]pyrazole-3-carboxamide (PubChem CID 20954207) has the molecular formula C18H20N4O3 and a molecular weight of 340.38 g/mol. Its IUPAC name is N-[3-(2-oxopyrrolidin-1-yl)propyl]-2,4-dihydrochromeno[4,3-c]pyrazole-3-carboxamide.

Molecular Properties

Compound NameN-[3-(2-oxopyrrolidin-1-yl)propyl]-2,4-dihydrochromeno[4,3-c]pyrazole-3-carboxamide
PubChem CID20954207
Molecular FormulaC18H20N4O3
Molecular Weight340.38 g/mol
Exact Mass340.15
IUPAC NameN-[3-(2-oxopyrrolidin-1-yl)propyl]-2,4-dihydrochromeno[4,3-c]pyrazole-3-carboxamide
SMILESO=C(NCCCN1CCCC1=O)c1[nH]nc2c1COc1ccccc1-2
InChIInChI=1S/C18H20N4O3/c23-15-7-3-9-22(15)10-4-8-19-18(24)17-13-11-25-14-6-2-1-5-12(14)16(13)20-21-17/h1-2,5-6H,3-4,7-11H2,(H,19,24)(H,20,21)
InChIKeyNYWKEFJUOYQLKT-UHFFFAOYSA-N
XLogP1.71
TPSA87.32 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.38
LogP ≤ 51.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[2-(cyclohexen-1-yl)ethyl]-2,4-dihydrochromeno[4,3-c]pyrazole-3-carboxamide
CID 20954225
N-[2-[4-(dimethylamino)phenyl]ethyl]-2,4-dihydrochromeno[4,3-c]pyrazole-3-carboxamide
CID 46981456
N-(thiophen-2-ylmethyl)-2,4-dihydrochromeno[4,3-c]pyrazole-3-carboxamide
CID 71802842
N-[2-(6-oxo-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-11-yl)ethyl]-2,4-dihydrochromeno[4,3-c]pyrazole-3-carboxamide
CID 163092294
3-oxo-N-[3-(2-oxopyrrolidin-1-yl)propyl]-4H-1,4-benzoxazine-7-carboxamide
CID 30483275
2,4-dihydrochromeno[4,3-c]pyrazol-3-yl(piperidin-1-yl)methanone
CID 166302472
N-(1-hydroxypropan-2-yl)-2,4-dihydrochromeno[4,3-c]pyrazole-3-carboxamide
CID 91821763
N-[3-(2-oxopyrrolidin-1-yl)propyl]-4-phenylbenzamide
CID 4787941
N-(3-fluoro-4-methylphenyl)-2,4-dihydrochromeno[4,3-c]pyrazole-3-carboxamide
CID 20954219
N-[3-(3,4-dihydro-2H-quinolin-1-yl)propyl]-4-methyl-3-phenyl-1H-pyrazole-5-carboxamide
CID 46963658
2-oxo-N-[3-(2-oxopyrrolidin-1-yl)propyl]-1H-pyridine-3-carboxamide
CID 34842840
2-(1H-indazol-3-yl)-N-[3-(2-oxopyrrolidin-1-yl)propyl]-3H-benzimidazole-5-carboxamide
CID 135750628

Frequently Asked Questions

What is the IUPAC name of N-[3-(2-oxopyrrolidin-1-yl)propyl]-2,4-dihydrochromeno[4,3-c]pyrazole-3-carboxamide?
The IUPAC name of N-[3-(2-oxopyrrolidin-1-yl)propyl]-2,4-dihydrochromeno[4,3-c]pyrazole-3-carboxamide (CID 20954207) is N-[3-(2-oxopyrrolidin-1-yl)propyl]-2,4-dihydrochromeno[4,3-c]pyrazole-3-carboxamide.
What is the SMILES notation for N-[3-(2-oxopyrrolidin-1-yl)propyl]-2,4-dihydrochromeno[4,3-c]pyrazole-3-carboxamide?
The canonical SMILES for N-[3-(2-oxopyrrolidin-1-yl)propyl]-2,4-dihydrochromeno[4,3-c]pyrazole-3-carboxamide is O=C(NCCCN1CCCC1=O)c1[nH]nc2c1COc1ccccc1-2.
What is the InChIKey of N-[3-(2-oxopyrrolidin-1-yl)propyl]-2,4-dihydrochromeno[4,3-c]pyrazole-3-carboxamide?
The InChIKey is NYWKEFJUOYQLKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N4O3/c23-15-7-3-9-22(15)10-4-8-19-18(24)17-13-11-25-14-6-2-1-5-12(14)16(13)20-21-17/h1-2,5-6H,3-4,7-11H2,(H,19,24)(H,20,21).
What are the key properties of N-[3-(2-oxopyrrolidin-1-yl)propyl]-2,4-dihydrochromeno[4,3-c]pyrazole-3-carboxamide?
N-[3-(2-oxopyrrolidin-1-yl)propyl]-2,4-dihydrochromeno[4,3-c]pyrazole-3-carboxamide has a molecular weight of 340.38 g/mol, XLogP of 1.71, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2-oxopyrrolidin-1-yl)propyl]-2,4-dihydrochromeno[4,3-c]pyrazole-3-carboxamide is sourced from PubChem (CID 20954207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).