N'-[(S)-(4-chlorophenyl)-cyclopropylmethyl]-N-[1-(2-methoxyethyl)pyrazol-3-yl]oxamide

C18H21ClN4O3 — CID 96529873

IUPACN'-[(S)-(4-chlorophenyl)-cyclopropylmethyl]-N-[1-(2-methoxyethyl)pyrazol-3-yl]oxamide
SMILESCOCCn1ccc(NC(=O)C(=O)N[C@H](c2ccc(Cl)cc2)C2CC2)n1
InChIInChI=1S/C18H21ClN4O3/c1-26-11-10-23-9-8-15(22-23)20-17(24)18(25)21-16(12-2-3-12)13-4-6-14(19)7-5-13/h4-9,12,16H,2-3,10-11H2,1H3,(H,21,25)(H,20,22,24)/t16-/m0/s1
InChIKeyNXATWRKZWVGFQQ-INIZCTEOSA-N
MW376.84 g/mol
LogP2.39
Rot. Bonds7

About N'-[(S)-(4-chlorophenyl)-cyclopropylmethyl]-N-[1-(2-methoxyethyl)pyrazol-3-yl]oxamide

N'-[(S)-(4-chlorophenyl)-cyclopropylmethyl]-N-[1-(2-methoxyethyl)pyrazol-3-yl]oxamide (PubChem CID 96529873) has the molecular formula C18H21ClN4O3 and a molecular weight of 376.84 g/mol. Its IUPAC name is N'-[(S)-(4-chlorophenyl)-cyclopropylmethyl]-N-[1-(2-methoxyethyl)pyrazol-3-yl]oxamide.

Molecular Properties

Compound NameN'-[(S)-(4-chlorophenyl)-cyclopropylmethyl]-N-[1-(2-methoxyethyl)pyrazol-3-yl]oxamide
PubChem CID96529873
Molecular FormulaC18H21ClN4O3
Molecular Weight376.84 g/mol
Exact Mass376.13
IUPAC NameN'-[(S)-(4-chlorophenyl)-cyclopropylmethyl]-N-[1-(2-methoxyethyl)pyrazol-3-yl]oxamide
SMILESCOCCn1ccc(NC(=O)C(=O)N[C@H](c2ccc(Cl)cc2)C2CC2)n1
InChIInChI=1S/C18H21ClN4O3/c1-26-11-10-23-9-8-15(22-23)20-17(24)18(25)21-16(12-2-3-12)13-4-6-14(19)7-5-13/h4-9,12,16H,2-3,10-11H2,1H3,(H,21,25)(H,20,22,24)/t16-/m0/s1
InChIKeyNXATWRKZWVGFQQ-INIZCTEOSA-N
XLogP2.39
TPSA85.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.84
LogP ≤ 52.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[1-(2-methoxyethyl)pyrazol-3-yl]acetamide
CID 118519251
(2R)-2-(3-chloro-4-methylsulfanylphenyl)-3-cyclopentyl-N-[1-(2-methoxyethyl)pyrazol-3-yl]propanamide
CID 143616639
N-[1-(2-methoxyethyl)pyrazol-3-yl]-N'-[(1R)-1-(2-methoxy-5-methylphenyl)ethyl]oxamide
CID 95973996
N-[1-(2-methoxyethyl)pyrazol-3-yl]-2-(methylamino)acetamide
CID 119767695
(2R)-2-(3-chloro-4-methylsulfonylphenyl)-3-cyclopentyl-N-[1-(2-methoxyethyl)pyrazol-3-yl]propanamide
CID 67190636
2-(3-chloro-4-methylsulfonylphenyl)-3-cyclopentyl-N-[1-(2-methoxyethyl)pyrazol-3-yl]propanamide
CID 67190634
N'-[(4-chlorophenyl)-cyclopropylmethyl]-N-(3,5-dimethyl-1,2-oxazol-4-yl)oxamide
CID 56806449
3-amino-N-[1-(2-methoxyethyl)pyrazol-3-yl]-3-phenylpropanamide;hydrochloride
CID 119951054
N-[1-(2-methoxyethyl)pyrazol-3-yl]pyrrolidine-2-carboxamide;hydrochloride
CID 119314318
(2R)-N-[1-(2-methoxyethyl)pyrazol-3-yl]-2-phenyl-2-pyrrolidin-1-ylacetamide
CID 95328936
N-[1-(3-methoxypropyl)pyrazol-3-yl]-4-propan-2-ylpiperidine-1-carboxamide
CID 71992095
N-(1-cyclopropylpropan-2-yl)-1-(2-methoxyethyl)pyrazol-3-amine
CID 115920722

Frequently Asked Questions

What is the IUPAC name of N'-[(S)-(4-chlorophenyl)-cyclopropylmethyl]-N-[1-(2-methoxyethyl)pyrazol-3-yl]oxamide?
The IUPAC name of N'-[(S)-(4-chlorophenyl)-cyclopropylmethyl]-N-[1-(2-methoxyethyl)pyrazol-3-yl]oxamide (CID 96529873) is N'-[(S)-(4-chlorophenyl)-cyclopropylmethyl]-N-[1-(2-methoxyethyl)pyrazol-3-yl]oxamide.
What is the SMILES notation for N'-[(S)-(4-chlorophenyl)-cyclopropylmethyl]-N-[1-(2-methoxyethyl)pyrazol-3-yl]oxamide?
The canonical SMILES for N'-[(S)-(4-chlorophenyl)-cyclopropylmethyl]-N-[1-(2-methoxyethyl)pyrazol-3-yl]oxamide is COCCn1ccc(NC(=O)C(=O)N[C@H](c2ccc(Cl)cc2)C2CC2)n1.
What is the InChIKey of N'-[(S)-(4-chlorophenyl)-cyclopropylmethyl]-N-[1-(2-methoxyethyl)pyrazol-3-yl]oxamide?
The InChIKey is NXATWRKZWVGFQQ-INIZCTEOSA-N. The full InChI is InChI=1S/C18H21ClN4O3/c1-26-11-10-23-9-8-15(22-23)20-17(24)18(25)21-16(12-2-3-12)13-4-6-14(19)7-5-13/h4-9,12,16H,2-3,10-11H2,1H3,(H,21,25)(H,20,22,24)/t16-/m0/s1.
What are the key properties of N'-[(S)-(4-chlorophenyl)-cyclopropylmethyl]-N-[1-(2-methoxyethyl)pyrazol-3-yl]oxamide?
N'-[(S)-(4-chlorophenyl)-cyclopropylmethyl]-N-[1-(2-methoxyethyl)pyrazol-3-yl]oxamide has a molecular weight of 376.84 g/mol, XLogP of 2.39, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(S)-(4-chlorophenyl)-cyclopropylmethyl]-N-[1-(2-methoxyethyl)pyrazol-3-yl]oxamide is sourced from PubChem (CID 96529873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).