N-(3-cyclopropyl-1-methylpyrazol-4-yl)-2,6-diethylmorpholine-4-carboxamide

C16H26N4O2 — CID 128858318

IUPACN-(3-cyclopropyl-1-methylpyrazol-4-yl)-2,6-diethylmorpholine-4-carboxamide
SMILESCCC1CN(C(=O)Nc2cn(C)nc2C2CC2)CC(CC)O1
InChIInChI=1S/C16H26N4O2/c1-4-12-8-20(9-13(5-2)22-12)16(21)17-14-10-19(3)18-15(14)11-6-7-11/h10-13H,4-9H2,1-3H3,(H,17,21)
InChIKeyPBOLIVALAYWMPX-UHFFFAOYSA-N
MW306.41 g/mol
LogP2.72
Rot. Bonds4

About N-(3-cyclopropyl-1-methylpyrazol-4-yl)-2,6-diethylmorpholine-4-carboxamide

N-(3-cyclopropyl-1-methylpyrazol-4-yl)-2,6-diethylmorpholine-4-carboxamide (PubChem CID 128858318) has the molecular formula C16H26N4O2 and a molecular weight of 306.41 g/mol. Its IUPAC name is N-(3-cyclopropyl-1-methylpyrazol-4-yl)-2,6-diethylmorpholine-4-carboxamide.

Molecular Properties

Compound NameN-(3-cyclopropyl-1-methylpyrazol-4-yl)-2,6-diethylmorpholine-4-carboxamide
PubChem CID128858318
Molecular FormulaC16H26N4O2
Molecular Weight306.41 g/mol
Exact Mass306.21
IUPAC NameN-(3-cyclopropyl-1-methylpyrazol-4-yl)-2,6-diethylmorpholine-4-carboxamide
SMILESCCC1CN(C(=O)Nc2cn(C)nc2C2CC2)CC(CC)O1
InChIInChI=1S/C16H26N4O2/c1-4-12-8-20(9-13(5-2)22-12)16(21)17-14-10-19(3)18-15(14)11-6-7-11/h10-13H,4-9H2,1-3H3,(H,17,21)
InChIKeyPBOLIVALAYWMPX-UHFFFAOYSA-N
XLogP2.72
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.41
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[(2-bromophenyl)methyl]-N-(3-cyclopropyl-1-methylpyrazol-4-yl)azetidine-1-carboxamide
CID 136555091
2-chloro-N-(3-cyclobutyl-1-methylpyrazol-4-yl)acetamide
CID 166410231
N-(3-cyclopropyl-1-methylpyrazol-4-yl)-3-methoxy-1-methylpyrazole-4-carboxamide
CID 167856488
N-(3-cyclohexyl-1-methylpyrazol-4-yl)-6-oxa-9-azaspiro[3.6]decane-9-carboxamide
CID 128636882
1-(3-cyclopropyl-1-methylpyrazol-4-yl)-3-[2-(3,5-dichlorophenyl)-1-hydroxypropan-2-yl]urea
CID 166236169
1-[(1,3-dimethylpyrazol-4-yl)carbamoyl]azetidine-3-carboxylic acid
CID 102806633
1-(3-cyclopropyl-1-methylpyrazol-4-yl)ethanone
CID 83873172
N-(3-cyclopropyl-1-methylpyrazol-4-yl)-6-methoxy-2,3,4,5-tetrahydro-1-benzazepine-1-carboxamide
CID 127266335
3-cyclopropyl-4-ethyl-1-methylpyrazole
CID 126759747
(3aR,6aS)-N-[3-cyclopropyl-1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-5-hydroxy-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carboxamide
CID 154848780
N-(3-ethyl-1-methylpyrazol-4-yl)pyrrolidine-1-carboxamide
CID 103908575
1-(3-cyclobutyl-1-methylpyrazol-4-yl)-3-thiophen-3-ylurea
CID 167849064

Frequently Asked Questions

What is the IUPAC name of N-(3-cyclopropyl-1-methylpyrazol-4-yl)-2,6-diethylmorpholine-4-carboxamide?
The IUPAC name of N-(3-cyclopropyl-1-methylpyrazol-4-yl)-2,6-diethylmorpholine-4-carboxamide (CID 128858318) is N-(3-cyclopropyl-1-methylpyrazol-4-yl)-2,6-diethylmorpholine-4-carboxamide.
What is the SMILES notation for N-(3-cyclopropyl-1-methylpyrazol-4-yl)-2,6-diethylmorpholine-4-carboxamide?
The canonical SMILES for N-(3-cyclopropyl-1-methylpyrazol-4-yl)-2,6-diethylmorpholine-4-carboxamide is CCC1CN(C(=O)Nc2cn(C)nc2C2CC2)CC(CC)O1.
What is the InChIKey of N-(3-cyclopropyl-1-methylpyrazol-4-yl)-2,6-diethylmorpholine-4-carboxamide?
The InChIKey is PBOLIVALAYWMPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N4O2/c1-4-12-8-20(9-13(5-2)22-12)16(21)17-14-10-19(3)18-15(14)11-6-7-11/h10-13H,4-9H2,1-3H3,(H,17,21).
What are the key properties of N-(3-cyclopropyl-1-methylpyrazol-4-yl)-2,6-diethylmorpholine-4-carboxamide?
N-(3-cyclopropyl-1-methylpyrazol-4-yl)-2,6-diethylmorpholine-4-carboxamide has a molecular weight of 306.41 g/mol, XLogP of 2.72, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-cyclopropyl-1-methylpyrazol-4-yl)-2,6-diethylmorpholine-4-carboxamide is sourced from PubChem (CID 128858318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).