methyl 4-(5-carbamoyl-1-phenylpyrazole-3-carbonyl)morpholine-2-carboxylate

C17H18N4O5 — CID 119129371

IUPACmethyl 4-(5-carbamoyl-1-phenylpyrazole-3-carbonyl)morpholine-2-carboxylate
SMILESCOC(=O)C1CN(C(=O)c2cc(C(N)=O)n(-c3ccccc3)n2)CCO1
InChIInChI=1S/C17H18N4O5/c1-25-17(24)14-10-20(7-8-26-14)16(23)12-9-13(15(18)22)21(19-12)11-5-3-2-4-6-11/h2-6,9,14H,7-8,10H2,1H3,(H2,18,22)
InChIKeyFAWMLXOISLLDLF-UHFFFAOYSA-N
MW358.35 g/mol
LogP-0.01
Rot. Bonds4

About methyl 4-(5-carbamoyl-1-phenylpyrazole-3-carbonyl)morpholine-2-carboxylate

methyl 4-(5-carbamoyl-1-phenylpyrazole-3-carbonyl)morpholine-2-carboxylate (PubChem CID 119129371) has the molecular formula C17H18N4O5 and a molecular weight of 358.35 g/mol. Its IUPAC name is methyl 4-(5-carbamoyl-1-phenylpyrazole-3-carbonyl)morpholine-2-carboxylate.

Molecular Properties

Compound Namemethyl 4-(5-carbamoyl-1-phenylpyrazole-3-carbonyl)morpholine-2-carboxylate
PubChem CID119129371
Molecular FormulaC17H18N4O5
Molecular Weight358.35 g/mol
Exact Mass358.13
IUPAC Namemethyl 4-(5-carbamoyl-1-phenylpyrazole-3-carbonyl)morpholine-2-carboxylate
SMILESCOC(=O)C1CN(C(=O)c2cc(C(N)=O)n(-c3ccccc3)n2)CCO1
InChIInChI=1S/C17H18N4O5/c1-25-17(24)14-10-20(7-8-26-14)16(23)12-9-13(15(18)22)21(19-12)11-5-3-2-4-6-11/h2-6,9,14H,7-8,10H2,1H3,(H2,18,22)
InChIKeyFAWMLXOISLLDLF-UHFFFAOYSA-N
XLogP-0.01
TPSA116.75 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.35
LogP ≤ 5-0.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

3-(3-aminopiperidine-1-carbonyl)-1-phenylpyrazole-5-carboxamide;hydrochloride
CID 119379377
1-(5-carbamoyl-1-phenylpyrazole-3-carbonyl)-5-methylpiperidine-3-carboxylic acid
CID 122118366
3-[4-(2,2-dimethylpropanoyl)piperazine-1-carbonyl]-1-phenylpyrazole-5-carboxamide
CID 119129360
methyl 4-(1-methyl-6-oxopyridazine-3-carbonyl)morpholine-2-carboxylate
CID 78926657
1-phenyl-3-[4-(trifluoromethyl)piperidine-1-carbonyl]pyrazole-5-carboxamide
CID 119138860
methyl 4-(2-methylbenzoyl)morpholine-2-carboxylate
CID 78926743
methyl 4-(3-methylbenzoyl)morpholine-2-carboxylate
CID 78926771
5-(3-methoxypiperidine-1-carbonyl)-1-phenylpyrazole-3-carboxylic acid
CID 119181333
(3-cyclopropyl-1-phenylpyrazol-5-yl)-[(2R)-2-methylmorpholin-4-yl]methanone
CID 51487785
methyl 4-(2,3-dimethylbenzoyl)morpholine-2-carboxylate
CID 78926701
(2S)-4-(1-phenylpyrazole-3-carbonyl)morpholine-2-carboxylic acid
CID 125148641
methyl 4-(2-amino-3-methoxybenzoyl)morpholine-2-carboxylate
CID 115533238

Frequently Asked Questions

What is the IUPAC name of methyl 4-(5-carbamoyl-1-phenylpyrazole-3-carbonyl)morpholine-2-carboxylate?
The IUPAC name of methyl 4-(5-carbamoyl-1-phenylpyrazole-3-carbonyl)morpholine-2-carboxylate (CID 119129371) is methyl 4-(5-carbamoyl-1-phenylpyrazole-3-carbonyl)morpholine-2-carboxylate.
What is the SMILES notation for methyl 4-(5-carbamoyl-1-phenylpyrazole-3-carbonyl)morpholine-2-carboxylate?
The canonical SMILES for methyl 4-(5-carbamoyl-1-phenylpyrazole-3-carbonyl)morpholine-2-carboxylate is COC(=O)C1CN(C(=O)c2cc(C(N)=O)n(-c3ccccc3)n2)CCO1.
What is the InChIKey of methyl 4-(5-carbamoyl-1-phenylpyrazole-3-carbonyl)morpholine-2-carboxylate?
The InChIKey is FAWMLXOISLLDLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N4O5/c1-25-17(24)14-10-20(7-8-26-14)16(23)12-9-13(15(18)22)21(19-12)11-5-3-2-4-6-11/h2-6,9,14H,7-8,10H2,1H3,(H2,18,22).
What are the key properties of methyl 4-(5-carbamoyl-1-phenylpyrazole-3-carbonyl)morpholine-2-carboxylate?
methyl 4-(5-carbamoyl-1-phenylpyrazole-3-carbonyl)morpholine-2-carboxylate has a molecular weight of 358.35 g/mol, XLogP of -0.01, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-(5-carbamoyl-1-phenylpyrazole-3-carbonyl)morpholine-2-carboxylate is sourced from PubChem (CID 119129371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).