N-(3-ethylcyclohexyl)-N'-[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]oxamide

C19H31N5O3 — CID 71849040

IUPACN-(3-ethylcyclohexyl)-N'-[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]oxamide
SMILESCCC1CCCC(NC(=O)C(=O)Nc2cnn(CCN3CCOCC3)c2)C1
InChIInChI=1S/C19H31N5O3/c1-2-15-4-3-5-16(12-15)21-18(25)19(26)22-17-13-20-24(14-17)7-6-23-8-10-27-11-9-23/h13-16H,2-12H2,1H3,(H,21,25)(H,22,26)
InChIKeyRRFFYGRQXVOGNH-UHFFFAOYSA-N
MW377.49 g/mol
LogP1.24
Rot. Bonds6

About N-(3-ethylcyclohexyl)-N'-[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]oxamide

N-(3-ethylcyclohexyl)-N'-[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]oxamide (PubChem CID 71849040) has the molecular formula C19H31N5O3 and a molecular weight of 377.49 g/mol. Its IUPAC name is N-(3-ethylcyclohexyl)-N'-[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]oxamide.

Molecular Properties

Compound NameN-(3-ethylcyclohexyl)-N'-[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]oxamide
PubChem CID71849040
Molecular FormulaC19H31N5O3
Molecular Weight377.49 g/mol
Exact Mass377.24
IUPAC NameN-(3-ethylcyclohexyl)-N'-[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]oxamide
SMILESCCC1CCCC(NC(=O)C(=O)Nc2cnn(CCN3CCOCC3)c2)C1
InChIInChI=1S/C19H31N5O3/c1-2-15-4-3-5-16(12-15)21-18(25)19(26)22-17-13-20-24(14-17)7-6-23-8-10-27-11-9-23/h13-16H,2-12H2,1H3,(H,21,25)(H,22,26)
InChIKeyRRFFYGRQXVOGNH-UHFFFAOYSA-N
XLogP1.24
TPSA88.49 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.49
LogP ≤ 51.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

N-(2,3-dihydro-1H-inden-1-yl)-N'-[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]oxamide
CID 71849064
4-methyl-N-[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]benzamide
CID 121419957
6-chloro-N-[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]pyridine-3-carboxamide
CID 136523476
1-cyclopentyl-3-[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]-1-[[(2R)-oxolan-2-yl]methyl]urea
CID 97010472
1-cyclopentyl-3-[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]-1-(oxolan-2-ylmethyl)urea
CID 71861206
2-(4-methoxyphenyl)-N-[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]pyrrolidine-1-carboxamide
CID 136511992
N-[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]-3-propan-2-yl-2-azaspiro[3.3]heptane-2-carboxamide
CID 139010727
trans-(1S,2S)-N-[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]-2-phenylcyclopropane-1-carboxamide
CID 97081561
2-[[[(3-ethylcyclohexyl)amino]-(2-morpholin-4-ylethylamino)methylidene]amino]-N,N-dimethylacetamide
CID 110041698
3-ethyl-N-[2-(4-methylpyrazol-1-yl)ethyl]cyclohexan-1-amine
CID 103699250
1-(2-morpholin-4-ylethyl)-N-[4-(trifluoromethyl)cyclohexyl]pyrazol-4-amine
CID 86794455
4-(carbamoylamino)-N-[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]benzamide
CID 136523469

Frequently Asked Questions

What is the IUPAC name of N-(3-ethylcyclohexyl)-N'-[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]oxamide?
The IUPAC name of N-(3-ethylcyclohexyl)-N'-[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]oxamide (CID 71849040) is N-(3-ethylcyclohexyl)-N'-[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]oxamide.
What is the SMILES notation for N-(3-ethylcyclohexyl)-N'-[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]oxamide?
The canonical SMILES for N-(3-ethylcyclohexyl)-N'-[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]oxamide is CCC1CCCC(NC(=O)C(=O)Nc2cnn(CCN3CCOCC3)c2)C1.
What is the InChIKey of N-(3-ethylcyclohexyl)-N'-[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]oxamide?
The InChIKey is RRFFYGRQXVOGNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H31N5O3/c1-2-15-4-3-5-16(12-15)21-18(25)19(26)22-17-13-20-24(14-17)7-6-23-8-10-27-11-9-23/h13-16H,2-12H2,1H3,(H,21,25)(H,22,26).
What are the key properties of N-(3-ethylcyclohexyl)-N'-[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]oxamide?
N-(3-ethylcyclohexyl)-N'-[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]oxamide has a molecular weight of 377.49 g/mol, XLogP of 1.24, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-ethylcyclohexyl)-N'-[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]oxamide is sourced from PubChem (CID 71849040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).