1-[1-[2-(3-oxomorpholin-4-yl)ethyl]azetidin-3-yl]pyrazole-4-carboxamide

C13H19N5O3 — CID 126901068

IUPAC1-[1-[2-(3-oxomorpholin-4-yl)ethyl]azetidin-3-yl]pyrazole-4-carboxamide
SMILESNC(=O)c1cnn(C2CN(CCN3CCOCC3=O)C2)c1
InChIInChI=1S/C13H19N5O3/c14-13(20)10-5-15-18(6-10)11-7-16(8-11)1-2-17-3-4-21-9-12(17)19/h5-6,11H,1-4,7-9H2,(H2,14,20)
InChIKeyYEXWBVSUMMSSFJ-UHFFFAOYSA-N
MW293.33 g/mol
LogP-1.30
Rot. Bonds5

About 1-[1-[2-(3-oxomorpholin-4-yl)ethyl]azetidin-3-yl]pyrazole-4-carboxamide

1-[1-[2-(3-oxomorpholin-4-yl)ethyl]azetidin-3-yl]pyrazole-4-carboxamide (PubChem CID 126901068) has the molecular formula C13H19N5O3 and a molecular weight of 293.33 g/mol. Its IUPAC name is 1-[1-[2-(3-oxomorpholin-4-yl)ethyl]azetidin-3-yl]pyrazole-4-carboxamide.

Molecular Properties

Compound Name1-[1-[2-(3-oxomorpholin-4-yl)ethyl]azetidin-3-yl]pyrazole-4-carboxamide
PubChem CID126901068
Molecular FormulaC13H19N5O3
Molecular Weight293.33 g/mol
Exact Mass293.15
IUPAC Name1-[1-[2-(3-oxomorpholin-4-yl)ethyl]azetidin-3-yl]pyrazole-4-carboxamide
SMILESNC(=O)c1cnn(C2CN(CCN3CCOCC3=O)C2)c1
InChIInChI=1S/C13H19N5O3/c14-13(20)10-5-15-18(6-10)11-7-16(8-11)1-2-17-3-4-21-9-12(17)19/h5-6,11H,1-4,7-9H2,(H2,14,20)
InChIKeyYEXWBVSUMMSSFJ-UHFFFAOYSA-N
XLogP-1.30
TPSA93.69 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.33
LogP ≤ 5-1.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-[1-[2-(3-oxo-1,4-oxazepan-4-yl)ethyl]azetidin-3-yl]pyrazole-4-carbonitrile
CID 126900774
1-[1-[(1-methyl-6-oxopiperidin-2-yl)methyl]azetidin-3-yl]pyrazole-4-carboxamide
CID 126901018
1-[1-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]azetidin-3-yl]pyrazole-4-carboxamide
CID 126901064
1-[1-[(2-methyl-4,5,6,7-tetrahydroindazol-3-yl)methyl]azetidin-3-yl]pyrazole-4-carboxamide
CID 126901141
1-[1-(4,5,6,7-tetrahydro-1,2-benzoxazol-3-ylmethyl)pyrrolidin-3-yl]pyrazole-4-carboxamide
CID 126948066
1-(1-prop-2-enoylazetidin-3-yl)pyrazole-4-carboxamide
CID 175742679
1-[1-[(5-propan-2-yl-1,3-oxazol-2-yl)methyl]pyrrolidin-3-yl]pyrazole-4-carboxamide
CID 126948057
4-[2-[3-[4-(3-methyl-2-oxoimidazolidin-1-yl)pyrazol-1-yl]pyrrolidin-1-yl]ethyl]-1,4-oxazepan-5-one
CID 126948772
1-[1-(5,6-dihydro-4H-cyclopenta[d][1,3]oxazol-2-ylmethyl)pyrrolidin-3-yl]pyrazole-4-carboxamide
CID 126948054
1-[1-(cycloheptylcarbamoyl)azetidin-3-yl]pyrazole-4-carboxamide
CID 126900915
1-[1-[2-[2-(2-formamidoethoxy)ethoxy]ethyl]piperidin-4-yl]pyrazole-4-carboxamide
CID 167464143
1-[1-(5,6-dihydro-4H-pyrrolo[2,1-e]pyrazol-2-ylmethyl)pyrrolidin-3-yl]pyrazole-4-carboxamide
CID 126948031

Frequently Asked Questions

What is the IUPAC name of 1-[1-[2-(3-oxomorpholin-4-yl)ethyl]azetidin-3-yl]pyrazole-4-carboxamide?
The IUPAC name of 1-[1-[2-(3-oxomorpholin-4-yl)ethyl]azetidin-3-yl]pyrazole-4-carboxamide (CID 126901068) is 1-[1-[2-(3-oxomorpholin-4-yl)ethyl]azetidin-3-yl]pyrazole-4-carboxamide.
What is the SMILES notation for 1-[1-[2-(3-oxomorpholin-4-yl)ethyl]azetidin-3-yl]pyrazole-4-carboxamide?
The canonical SMILES for 1-[1-[2-(3-oxomorpholin-4-yl)ethyl]azetidin-3-yl]pyrazole-4-carboxamide is NC(=O)c1cnn(C2CN(CCN3CCOCC3=O)C2)c1.
What is the InChIKey of 1-[1-[2-(3-oxomorpholin-4-yl)ethyl]azetidin-3-yl]pyrazole-4-carboxamide?
The InChIKey is YEXWBVSUMMSSFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N5O3/c14-13(20)10-5-15-18(6-10)11-7-16(8-11)1-2-17-3-4-21-9-12(17)19/h5-6,11H,1-4,7-9H2,(H2,14,20).
What are the key properties of 1-[1-[2-(3-oxomorpholin-4-yl)ethyl]azetidin-3-yl]pyrazole-4-carboxamide?
1-[1-[2-(3-oxomorpholin-4-yl)ethyl]azetidin-3-yl]pyrazole-4-carboxamide has a molecular weight of 293.33 g/mol, XLogP of -1.30, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[2-(3-oxomorpholin-4-yl)ethyl]azetidin-3-yl]pyrazole-4-carboxamide is sourced from PubChem (CID 126901068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).