N-(2-morpholin-4-ylethyl)-5-oxo-1,2-dihydropyrazole-3-carboxamide

C10H16N4O3 — CID 112513814

IUPACN-(2-morpholin-4-ylethyl)-5-oxo-1,2-dihydropyrazole-3-carboxamide
SMILESO=C(NCCN1CCOCC1)c1cc(=O)[nH][nH]1
InChIInChI=1S/C10H16N4O3/c15-9-7-8(12-13-9)10(16)11-1-2-14-3-5-17-6-4-14/h7H,1-6H2,(H,11,16)(H2,12,13,15)
InChIKeyFKDWISQRJLMHPM-UHFFFAOYSA-N
MW240.26 g/mol
LogP-1.24
Rot. Bonds4

About N-(2-morpholin-4-ylethyl)-5-oxo-1,2-dihydropyrazole-3-carboxamide

N-(2-morpholin-4-ylethyl)-5-oxo-1,2-dihydropyrazole-3-carboxamide (PubChem CID 112513814) has the molecular formula C10H16N4O3 and a molecular weight of 240.26 g/mol. Its IUPAC name is N-(2-morpholin-4-ylethyl)-5-oxo-1,2-dihydropyrazole-3-carboxamide.

Molecular Properties

Compound NameN-(2-morpholin-4-ylethyl)-5-oxo-1,2-dihydropyrazole-3-carboxamide
PubChem CID112513814
Molecular FormulaC10H16N4O3
Molecular Weight240.26 g/mol
Exact Mass240.12
IUPAC NameN-(2-morpholin-4-ylethyl)-5-oxo-1,2-dihydropyrazole-3-carboxamide
SMILESO=C(NCCN1CCOCC1)c1cc(=O)[nH][nH]1
InChIInChI=1S/C10H16N4O3/c15-9-7-8(12-13-9)10(16)11-1-2-14-3-5-17-6-4-14/h7H,1-6H2,(H,11,16)(H2,12,13,15)
InChIKeyFKDWISQRJLMHPM-UHFFFAOYSA-N
XLogP-1.24
TPSA90.22 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.26
LogP ≤ 5-1.24
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

3-(Morpholin-4-ylamino)-1,2-dihydropyrrol-5-one
CID 139223929
5-[2-(Trifluoromethyl)morpholine-4-carbonyl]-1,2-dihydropyrazol-3-one
CID 56874978
2-methyl-5-(morpholine-4-carbonyl)-1H-pyrazol-3-one
CID 22118185
5-(Morpholine-4-carbonyl)-1,2-dihydropyrazol-3-one
CID 57712978
2-methyl-3-(morpholine-4-carbonyl)-1H-pyrazol-5-one
CID 118690658
1,2-Dihydro-4-(4-morpholinyl)-3,6-pyridazinedione
CID 154141975
3-[2-(2-morpholin-4-yl-2-oxoacetyl)hydrazinyl]-N,N-di(propan-2-yl)but-2-enamide
CID 4226185
N-butan-2-yl-3-[2-(2-morpholin-4-yl-2-oxoacetyl)hydrazinyl]but-2-enamide
CID 4565778
5-(Piperazine-1-carbonyl)-1,2-dihydropyrazol-3-one
CID 82505544
5-methyl-2-(2-morpholin-4-ylethyl)-1H-pyrazol-3-one
CID 102406423
5-(2,6-Dimethylmorpholine-4-carbonyl)-1,2-dihydropyrazol-3-one
CID 108466312
5-[4-(2-Aminoethyl)piperazine-1-carbonyl]-1,2-dihydropyrazol-3-one
CID 108466339

Frequently Asked Questions

What is the IUPAC name of N-(2-morpholin-4-ylethyl)-5-oxo-1,2-dihydropyrazole-3-carboxamide?
The IUPAC name of N-(2-morpholin-4-ylethyl)-5-oxo-1,2-dihydropyrazole-3-carboxamide (CID 112513814) is N-(2-morpholin-4-ylethyl)-5-oxo-1,2-dihydropyrazole-3-carboxamide.
What is the SMILES notation for N-(2-morpholin-4-ylethyl)-5-oxo-1,2-dihydropyrazole-3-carboxamide?
The canonical SMILES for N-(2-morpholin-4-ylethyl)-5-oxo-1,2-dihydropyrazole-3-carboxamide is O=C(NCCN1CCOCC1)c1cc(=O)[nH][nH]1.
What is the InChIKey of N-(2-morpholin-4-ylethyl)-5-oxo-1,2-dihydropyrazole-3-carboxamide?
The InChIKey is FKDWISQRJLMHPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N4O3/c15-9-7-8(12-13-9)10(16)11-1-2-14-3-5-17-6-4-14/h7H,1-6H2,(H,11,16)(H2,12,13,15).
What are the key properties of N-(2-morpholin-4-ylethyl)-5-oxo-1,2-dihydropyrazole-3-carboxamide?
N-(2-morpholin-4-ylethyl)-5-oxo-1,2-dihydropyrazole-3-carboxamide has a molecular weight of 240.26 g/mol, XLogP of -1.24, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-morpholin-4-ylethyl)-5-oxo-1,2-dihydropyrazole-3-carboxamide is sourced from PubChem (CID 112513814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).