3-amino-N-[1-[2-(2,6-dimethylmorpholin-4-yl)-2-oxoethyl]pyrazol-4-yl]cyclohexane-1-carboxamide

C18H29N5O3 — CID 119800850

IUPAC3-amino-N-[1-[2-(2,6-dimethylmorpholin-4-yl)-2-oxoethyl]pyrazol-4-yl]cyclohexane-1-carboxamide
SMILESCC1CN(C(=O)Cn2cc(NC(=O)C3CCCC(N)C3)cn2)CC(C)O1
InChIInChI=1S/C18H29N5O3/c1-12-8-22(9-13(2)26-12)17(24)11-23-10-16(7-20-23)21-18(25)14-4-3-5-15(19)6-14/h7,10,12-15H,3-6,8-9,11,19H2,1-2H3,(H,21,25)
InChIKeyKCPYOULIMILQBE-UHFFFAOYSA-N
MW363.46 g/mol
LogP0.97
Rot. Bonds4

About 3-amino-N-[1-[2-(2,6-dimethylmorpholin-4-yl)-2-oxoethyl]pyrazol-4-yl]cyclohexane-1-carboxamide

3-amino-N-[1-[2-(2,6-dimethylmorpholin-4-yl)-2-oxoethyl]pyrazol-4-yl]cyclohexane-1-carboxamide (PubChem CID 119800850) has the molecular formula C18H29N5O3 and a molecular weight of 363.46 g/mol. Its IUPAC name is 3-amino-N-[1-[2-(2,6-dimethylmorpholin-4-yl)-2-oxoethyl]pyrazol-4-yl]cyclohexane-1-carboxamide.

Molecular Properties

Compound Name3-amino-N-[1-[2-(2,6-dimethylmorpholin-4-yl)-2-oxoethyl]pyrazol-4-yl]cyclohexane-1-carboxamide
PubChem CID119800850
Molecular FormulaC18H29N5O3
Molecular Weight363.46 g/mol
Exact Mass363.23
IUPAC Name3-amino-N-[1-[2-(2,6-dimethylmorpholin-4-yl)-2-oxoethyl]pyrazol-4-yl]cyclohexane-1-carboxamide
SMILESCC1CN(C(=O)Cn2cc(NC(=O)C3CCCC(N)C3)cn2)CC(C)O1
InChIInChI=1S/C18H29N5O3/c1-12-8-22(9-13(2)26-12)17(24)11-23-10-16(7-20-23)21-18(25)14-4-3-5-15(19)6-14/h7,10,12-15H,3-6,8-9,11,19H2,1-2H3,(H,21,25)
InChIKeyKCPYOULIMILQBE-UHFFFAOYSA-N
XLogP0.97
TPSA102.48 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.46
LogP ≤ 50.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[1-[2-(2,6-dimethylmorpholin-4-yl)-2-oxoethyl]pyrazol-4-yl]piperidine-4-carboxamide;hydrochloride
CID 119333412
3-amino-N-[1-[2-(cyclopropylamino)-2-oxoethyl]pyrazol-4-yl]cyclohexane-1-carboxamide
CID 119728671
1-amino-N-[1-[2-(2,6-dimethylmorpholin-4-yl)-2-oxoethyl]pyrazol-4-yl]cyclohexane-1-carboxamide
CID 119333431
N-[1-[2-(2,6-dimethylmorpholin-4-yl)-2-oxoethyl]pyrazol-4-yl]-1,2-oxazole-3-carboxamide
CID 136527820
(2S)-2-amino-N-[1-[2-(2,6-dimethylmorpholin-4-yl)-2-oxoethyl]pyrazol-4-yl]-3-methylbutanamide
CID 119333433
3-amino-N-[1-(oxolan-2-ylmethyl)pyrazol-4-yl]cyclohexane-1-carboxamide
CID 63044481
3-amino-N-[4-(2,6-dimethylmorpholine-4-carbonyl)phenyl]cyclohexane-1-carboxamide;hydrochloride
CID 119744216
N-[1-[2-(2,6-dimethylmorpholin-4-yl)-2-oxoethyl]pyrazol-4-yl]-2-pyrrolidin-2-ylacetamide;hydrochloride
CID 119800877
2-amino-N-[1-[2-(2,6-dimethylmorpholin-4-yl)-2-oxoethyl]pyrazol-4-yl]benzamide
CID 119945711
N-[1-[2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-2-oxoethyl]pyrazol-4-yl]cyclohexene-1-carboxamide
CID 124572592
2-amino-N-[1-[2-(2,6-dimethylmorpholin-4-yl)-2-oxoethyl]pyrazol-4-yl]-3-methylpentanamide;hydrochloride
CID 119800873
N-[1-[2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-2-oxoethyl]pyrazol-4-yl]-2-methyl-1,3-thiazole-5-carboxamide
CID 96509334

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[1-[2-(2,6-dimethylmorpholin-4-yl)-2-oxoethyl]pyrazol-4-yl]cyclohexane-1-carboxamide?
The IUPAC name of 3-amino-N-[1-[2-(2,6-dimethylmorpholin-4-yl)-2-oxoethyl]pyrazol-4-yl]cyclohexane-1-carboxamide (CID 119800850) is 3-amino-N-[1-[2-(2,6-dimethylmorpholin-4-yl)-2-oxoethyl]pyrazol-4-yl]cyclohexane-1-carboxamide.
What is the SMILES notation for 3-amino-N-[1-[2-(2,6-dimethylmorpholin-4-yl)-2-oxoethyl]pyrazol-4-yl]cyclohexane-1-carboxamide?
The canonical SMILES for 3-amino-N-[1-[2-(2,6-dimethylmorpholin-4-yl)-2-oxoethyl]pyrazol-4-yl]cyclohexane-1-carboxamide is CC1CN(C(=O)Cn2cc(NC(=O)C3CCCC(N)C3)cn2)CC(C)O1.
What is the InChIKey of 3-amino-N-[1-[2-(2,6-dimethylmorpholin-4-yl)-2-oxoethyl]pyrazol-4-yl]cyclohexane-1-carboxamide?
The InChIKey is KCPYOULIMILQBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29N5O3/c1-12-8-22(9-13(2)26-12)17(24)11-23-10-16(7-20-23)21-18(25)14-4-3-5-15(19)6-14/h7,10,12-15H,3-6,8-9,11,19H2,1-2H3,(H,21,25).
What are the key properties of 3-amino-N-[1-[2-(2,6-dimethylmorpholin-4-yl)-2-oxoethyl]pyrazol-4-yl]cyclohexane-1-carboxamide?
3-amino-N-[1-[2-(2,6-dimethylmorpholin-4-yl)-2-oxoethyl]pyrazol-4-yl]cyclohexane-1-carboxamide has a molecular weight of 363.46 g/mol, XLogP of 0.97, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[1-[2-(2,6-dimethylmorpholin-4-yl)-2-oxoethyl]pyrazol-4-yl]cyclohexane-1-carboxamide is sourced from PubChem (CID 119800850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).