2,3-dimethyl-N-(1-propylpyrazol-4-yl)morpholine-4-carboxamide

C13H22N4O2 — CID 75499423

IUPAC2,3-dimethyl-N-(1-propylpyrazol-4-yl)morpholine-4-carboxamide
SMILESCCCn1cc(NC(=O)N2CCOC(C)C2C)cn1
InChIInChI=1S/C13H22N4O2/c1-4-5-16-9-12(8-14-16)15-13(18)17-6-7-19-11(3)10(17)2/h8-11H,4-7H2,1-3H3,(H,15,18)
InChIKeyMTTKJYXLAFRNNS-UHFFFAOYSA-N
MW266.34 g/mol
LogP1.93
Rot. Bonds3

About 2,3-dimethyl-N-(1-propylpyrazol-4-yl)morpholine-4-carboxamide

2,3-dimethyl-N-(1-propylpyrazol-4-yl)morpholine-4-carboxamide (PubChem CID 75499423) has the molecular formula C13H22N4O2 and a molecular weight of 266.34 g/mol. Its IUPAC name is 2,3-dimethyl-N-(1-propylpyrazol-4-yl)morpholine-4-carboxamide.

Molecular Properties

Compound Name2,3-dimethyl-N-(1-propylpyrazol-4-yl)morpholine-4-carboxamide
PubChem CID75499423
Molecular FormulaC13H22N4O2
Molecular Weight266.34 g/mol
Exact Mass266.17
IUPAC Name2,3-dimethyl-N-(1-propylpyrazol-4-yl)morpholine-4-carboxamide
SMILESCCCn1cc(NC(=O)N2CCOC(C)C2C)cn1
InChIInChI=1S/C13H22N4O2/c1-4-5-16-9-12(8-14-16)15-13(18)17-6-7-19-11(3)10(17)2/h8-11H,4-7H2,1-3H3,(H,15,18)
InChIKeyMTTKJYXLAFRNNS-UHFFFAOYSA-N
XLogP1.93
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.34
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[2-(morpholin-4-yl)ethyl]-1H-pyrazol-4-amine
CID 28394826
1-(1-Ethylpyrazol-4-yl)-3-[(3-morpholin-4-ylthiolan-3-yl)methyl]urea
CID 45821343
1-(1-Ethylpyrazol-4-yl)-3-(2-hydroxypropyl)urea
CID 47200192
1-Ethyl-1-(2-hydroxypropyl)-3-[1-(2-methoxyethyl)pyrazol-4-yl]urea
CID 51093544
1-(1-Ethylpyrazol-4-yl)-3-(2-hydroxy-3-piperidin-1-ylpropyl)urea
CID 53502540
1-[2-(4-Ethylpiperazin-1-yl)propyl]-3-(1-ethylpyrazol-4-yl)urea
CID 53502914
1-[1-(2-Methoxyethyl)pyrazol-4-yl]-3-(2-morpholin-4-ylpropyl)urea
CID 53502932
1-(2-morpholin-4-ylpropyl)-3-(1H-pyrazol-4-yl)urea
CID 53503374
1-[2-(Dimethylamino)propyl]-3-(1-ethylpyrazol-4-yl)urea
CID 53504812
N-[1-(2-amino-2-oxoethyl)pyrazol-4-yl]-4-propan-2-ylpiperazine-1-carboxamide
CID 53505760
N-[1-(2-amino-2-oxoethyl)pyrazol-4-yl]-3-hydroxypiperidine-1-carboxamide
CID 53516702
1-[2-[Cyclopropyl(methyl)amino]propyl]-3-(1-ethylpyrazol-4-yl)urea
CID 53595544

Frequently Asked Questions

What is the IUPAC name of 2,3-dimethyl-N-(1-propylpyrazol-4-yl)morpholine-4-carboxamide?
The IUPAC name of 2,3-dimethyl-N-(1-propylpyrazol-4-yl)morpholine-4-carboxamide (CID 75499423) is 2,3-dimethyl-N-(1-propylpyrazol-4-yl)morpholine-4-carboxamide.
What is the SMILES notation for 2,3-dimethyl-N-(1-propylpyrazol-4-yl)morpholine-4-carboxamide?
The canonical SMILES for 2,3-dimethyl-N-(1-propylpyrazol-4-yl)morpholine-4-carboxamide is CCCn1cc(NC(=O)N2CCOC(C)C2C)cn1.
What is the InChIKey of 2,3-dimethyl-N-(1-propylpyrazol-4-yl)morpholine-4-carboxamide?
The InChIKey is MTTKJYXLAFRNNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4O2/c1-4-5-16-9-12(8-14-16)15-13(18)17-6-7-19-11(3)10(17)2/h8-11H,4-7H2,1-3H3,(H,15,18).
What are the key properties of 2,3-dimethyl-N-(1-propylpyrazol-4-yl)morpholine-4-carboxamide?
2,3-dimethyl-N-(1-propylpyrazol-4-yl)morpholine-4-carboxamide has a molecular weight of 266.34 g/mol, XLogP of 1.93, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dimethyl-N-(1-propylpyrazol-4-yl)morpholine-4-carboxamide is sourced from PubChem (CID 75499423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).