N-[2-(5-chloro-2-cyanoanilino)-2-oxoethyl]-3-methoxy-1-methylpyrazole-4-carboxamide

C15H14ClN5O3 — CID 121091902

IUPACN-[2-(5-chloro-2-cyanoanilino)-2-oxoethyl]-3-methoxy-1-methylpyrazole-4-carboxamide
SMILESCOc1nn(C)cc1C(=O)NCC(=O)Nc1cc(Cl)ccc1C#N
InChIInChI=1S/C15H14ClN5O3/c1-21-8-11(15(20-21)24-2)14(23)18-7-13(22)19-12-5-10(16)4-3-9(12)6-17/h3-5,8H,7H2,1-2H3,(H,18,23)(H,19,22)
InChIKeyIDNYIRRPZITPOS-UHFFFAOYSA-N
MW347.76 g/mol
LogP1.32
Rot. Bonds5

About N-[2-(5-chloro-2-cyanoanilino)-2-oxoethyl]-3-methoxy-1-methylpyrazole-4-carboxamide

N-[2-(5-chloro-2-cyanoanilino)-2-oxoethyl]-3-methoxy-1-methylpyrazole-4-carboxamide (PubChem CID 121091902) has the molecular formula C15H14ClN5O3 and a molecular weight of 347.76 g/mol. Its IUPAC name is N-[2-(5-chloro-2-cyanoanilino)-2-oxoethyl]-3-methoxy-1-methylpyrazole-4-carboxamide.

Molecular Properties

Compound NameN-[2-(5-chloro-2-cyanoanilino)-2-oxoethyl]-3-methoxy-1-methylpyrazole-4-carboxamide
PubChem CID121091902
Molecular FormulaC15H14ClN5O3
Molecular Weight347.76 g/mol
Exact Mass347.08
IUPAC NameN-[2-(5-chloro-2-cyanoanilino)-2-oxoethyl]-3-methoxy-1-methylpyrazole-4-carboxamide
SMILESCOc1nn(C)cc1C(=O)NCC(=O)Nc1cc(Cl)ccc1C#N
InChIInChI=1S/C15H14ClN5O3/c1-21-8-11(15(20-21)24-2)14(23)18-7-13(22)19-12-5-10(16)4-3-9(12)6-17/h3-5,8H,7H2,1-2H3,(H,18,23)(H,19,22)
InChIKeyIDNYIRRPZITPOS-UHFFFAOYSA-N
XLogP1.32
TPSA109.04 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.76
LogP ≤ 51.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[2-(2-cyanoanilino)-2-oxoethyl]-3-methoxy-1-methylpyrazole-4-carboxamide
CID 121091901
3-methoxy-1-methyl-N-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]pyrazole-4-carboxamide
CID 121091888
3-methoxy-1-methyl-N-[2-oxo-2-(3,4,5-trimethoxyanilino)ethyl]pyrazole-4-carboxamide
CID 121091994
N-(5-chloro-2-cyanophenyl)-2-(5-chloro-2-methylanilino)acetamide
CID 9102944
N-[2-(1,3-benzodioxol-5-ylamino)-2-oxoethyl]-3-methoxy-1-methylpyrazole-4-carboxamide
CID 121091930
N-(5-chloro-2-cyanophenyl)-2-(cyclopropylamino)acetamide
CID 54917775
3-[[2-(5-chloro-2-cyanoanilino)-2-oxoethyl]amino]-4-methoxy-N-methylbenzamide
CID 87029453
N-[2-(5-chloro-2-methoxyanilino)-2-oxoethyl]-3,5-dimethoxybenzamide
CID 112998400
3-methoxy-1-methyl-N-[2-[(4-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]pyrazole-4-carboxamide
CID 121091955
2,4-dichloro-N-[2-[(4-cyano-1-methylpyrazol-5-yl)amino]-2-oxoethyl]benzamide
CID 108759901
[2-(5-chloro-2-cyanoanilino)-2-oxoethyl] 2-[(3,4-dimethylbenzoyl)amino]acetate
CID 7885309
3-methoxy-1-methyl-N-[2-[(4-methyl-1,3-benzothiazol-2-yl)amino]-2-oxoethyl]pyrazole-4-carboxamide
CID 121091957

Frequently Asked Questions

What is the IUPAC name of N-[2-(5-chloro-2-cyanoanilino)-2-oxoethyl]-3-methoxy-1-methylpyrazole-4-carboxamide?
The IUPAC name of N-[2-(5-chloro-2-cyanoanilino)-2-oxoethyl]-3-methoxy-1-methylpyrazole-4-carboxamide (CID 121091902) is N-[2-(5-chloro-2-cyanoanilino)-2-oxoethyl]-3-methoxy-1-methylpyrazole-4-carboxamide.
What is the SMILES notation for N-[2-(5-chloro-2-cyanoanilino)-2-oxoethyl]-3-methoxy-1-methylpyrazole-4-carboxamide?
The canonical SMILES for N-[2-(5-chloro-2-cyanoanilino)-2-oxoethyl]-3-methoxy-1-methylpyrazole-4-carboxamide is COc1nn(C)cc1C(=O)NCC(=O)Nc1cc(Cl)ccc1C#N.
What is the InChIKey of N-[2-(5-chloro-2-cyanoanilino)-2-oxoethyl]-3-methoxy-1-methylpyrazole-4-carboxamide?
The InChIKey is IDNYIRRPZITPOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14ClN5O3/c1-21-8-11(15(20-21)24-2)14(23)18-7-13(22)19-12-5-10(16)4-3-9(12)6-17/h3-5,8H,7H2,1-2H3,(H,18,23)(H,19,22).
What are the key properties of N-[2-(5-chloro-2-cyanoanilino)-2-oxoethyl]-3-methoxy-1-methylpyrazole-4-carboxamide?
N-[2-(5-chloro-2-cyanoanilino)-2-oxoethyl]-3-methoxy-1-methylpyrazole-4-carboxamide has a molecular weight of 347.76 g/mol, XLogP of 1.32, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(5-chloro-2-cyanoanilino)-2-oxoethyl]-3-methoxy-1-methylpyrazole-4-carboxamide is sourced from PubChem (CID 121091902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).