N-(3-methoxypropyl)-5-oxo-1,2-dihydropyrazole-3-carboxamide

C8H13N3O3 — CID 110600663

IUPACN-(3-methoxypropyl)-5-oxo-1,2-dihydropyrazole-3-carboxamide
SMILESCOCCCNC(=O)c1cc(=O)[nH][nH]1
InChIInChI=1S/C8H13N3O3/c1-14-4-2-3-9-8(13)6-5-7(12)11-10-6/h5H,2-4H2,1H3,(H,9,13)(H2,10,11,12)
InChIKeyAHWKGHVAKUVVDO-UHFFFAOYSA-N
MW199.21 g/mol
LogP-0.53
Rot. Bonds5

About N-(3-methoxypropyl)-5-oxo-1,2-dihydropyrazole-3-carboxamide

N-(3-methoxypropyl)-5-oxo-1,2-dihydropyrazole-3-carboxamide (PubChem CID 110600663) has the molecular formula C8H13N3O3 and a molecular weight of 199.21 g/mol. Its IUPAC name is N-(3-methoxypropyl)-5-oxo-1,2-dihydropyrazole-3-carboxamide.

Molecular Properties

Compound NameN-(3-methoxypropyl)-5-oxo-1,2-dihydropyrazole-3-carboxamide
PubChem CID110600663
Molecular FormulaC8H13N3O3
Molecular Weight199.21 g/mol
Exact Mass199.10
IUPAC NameN-(3-methoxypropyl)-5-oxo-1,2-dihydropyrazole-3-carboxamide
SMILESCOCCCNC(=O)c1cc(=O)[nH][nH]1
InChIInChI=1S/C8H13N3O3/c1-14-4-2-3-9-8(13)6-5-7(12)11-10-6/h5H,2-4H2,1H3,(H,9,13)(H2,10,11,12)
InChIKeyAHWKGHVAKUVVDO-UHFFFAOYSA-N
XLogP-0.53
TPSA86.98 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.21
LogP ≤ 5-0.53
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[(3R,4R)-4-fluorooxolan-3-yl]-2-methyl-3-oxo-1H-pyrazole-5-carboxamide
CID 154847148
2-(2-cyanoethyl)-N-ethyl-3-oxo-1H-pyrazole-5-carboxamide
CID 21501925
N-methyl-2-[3-(methylamino)-3-oxopropyl]-3-oxo-1H-pyrazole-5-carboxamide
CID 21501927
2-(2-cyanoethyl)-N-methyl-3-oxo-1H-pyrazole-5-carboxamide
CID 21501951
N-butyl-5-oxo-1,2-dihydropyrazole-3-carboxamide
CID 53992180
Ethyl 3-[(5-oxo-1,2-dihydropyrazole-3-carbonyl)amino]propanoate
CID 70820608
N-(2-hydroxyethyl)-5-oxo-1,2-dihydropyrazole-3-carboxamide
CID 91611511
N-ethyl-5-oxo-1,2-dihydropyrazole-3-carboxamide
CID 108466350
N-butan-2-yl-5-oxo-1,2-dihydropyrazole-3-carboxamide
CID 110600660
5-oxo-N-propyl-1,2-dihydropyrazole-3-carboxamide
CID 112513801
5-oxo-N-propan-2-yl-1,2-dihydropyrazole-3-carboxamide
CID 112513802
N-(2-methylpropyl)-5-oxo-1,2-dihydropyrazole-3-carboxamide
CID 112513805

Frequently Asked Questions

What is the IUPAC name of N-(3-methoxypropyl)-5-oxo-1,2-dihydropyrazole-3-carboxamide?
The IUPAC name of N-(3-methoxypropyl)-5-oxo-1,2-dihydropyrazole-3-carboxamide (CID 110600663) is N-(3-methoxypropyl)-5-oxo-1,2-dihydropyrazole-3-carboxamide.
What is the SMILES notation for N-(3-methoxypropyl)-5-oxo-1,2-dihydropyrazole-3-carboxamide?
The canonical SMILES for N-(3-methoxypropyl)-5-oxo-1,2-dihydropyrazole-3-carboxamide is COCCCNC(=O)c1cc(=O)[nH][nH]1.
What is the InChIKey of N-(3-methoxypropyl)-5-oxo-1,2-dihydropyrazole-3-carboxamide?
The InChIKey is AHWKGHVAKUVVDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N3O3/c1-14-4-2-3-9-8(13)6-5-7(12)11-10-6/h5H,2-4H2,1H3,(H,9,13)(H2,10,11,12).
What are the key properties of N-(3-methoxypropyl)-5-oxo-1,2-dihydropyrazole-3-carboxamide?
N-(3-methoxypropyl)-5-oxo-1,2-dihydropyrazole-3-carboxamide has a molecular weight of 199.21 g/mol, XLogP of -0.53, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methoxypropyl)-5-oxo-1,2-dihydropyrazole-3-carboxamide is sourced from PubChem (CID 110600663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).