N-[2-(4-cyanoanilino)-2-oxoethyl]-3-methoxy-N,1-dimethylpyrazole-4-carboxamide

C16H17N5O3 — CID 121092285

IUPACN-[2-(4-cyanoanilino)-2-oxoethyl]-3-methoxy-N,1-dimethylpyrazole-4-carboxamide
SMILESCOc1nn(C)cc1C(=O)N(C)CC(=O)Nc1ccc(C#N)cc1
InChIInChI=1S/C16H17N5O3/c1-20(16(23)13-9-21(2)19-15(13)24-3)10-14(22)18-12-6-4-11(8-17)5-7-12/h4-7,9H,10H2,1-3H3,(H,18,22)
InChIKeyGNVQGMCVWHNMPL-UHFFFAOYSA-N
MW327.34 g/mol
LogP1.01
Rot. Bonds5

About N-[2-(4-cyanoanilino)-2-oxoethyl]-3-methoxy-N,1-dimethylpyrazole-4-carboxamide

N-[2-(4-cyanoanilino)-2-oxoethyl]-3-methoxy-N,1-dimethylpyrazole-4-carboxamide (PubChem CID 121092285) has the molecular formula C16H17N5O3 and a molecular weight of 327.34 g/mol. Its IUPAC name is N-[2-(4-cyanoanilino)-2-oxoethyl]-3-methoxy-N,1-dimethylpyrazole-4-carboxamide.

Molecular Properties

Compound NameN-[2-(4-cyanoanilino)-2-oxoethyl]-3-methoxy-N,1-dimethylpyrazole-4-carboxamide
PubChem CID121092285
Molecular FormulaC16H17N5O3
Molecular Weight327.34 g/mol
Exact Mass327.13
IUPAC NameN-[2-(4-cyanoanilino)-2-oxoethyl]-3-methoxy-N,1-dimethylpyrazole-4-carboxamide
SMILESCOc1nn(C)cc1C(=O)N(C)CC(=O)Nc1ccc(C#N)cc1
InChIInChI=1S/C16H17N5O3/c1-20(16(23)13-9-21(2)19-15(13)24-3)10-14(22)18-12-6-4-11(8-17)5-7-12/h4-7,9H,10H2,1-3H3,(H,18,22)
InChIKeyGNVQGMCVWHNMPL-UHFFFAOYSA-N
XLogP1.01
TPSA100.25 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.34
LogP ≤ 51.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[2-(3-cyanoanilino)-2-oxoethyl]-3-methoxy-N,1-dimethylpyrazole-4-carboxamide
CID 121092284
N-[2-[4-(dimethylamino)anilino]-2-oxoethyl]-3-methoxy-N,1-dimethylpyrazole-4-carboxamide
CID 121092143
ethyl 4-[[2-[(3-methoxy-1-methylpyrazole-4-carbonyl)-methylamino]acetyl]amino]benzoate
CID 121092151
N-[2-(3,5-dimethylanilino)-2-oxoethyl]-3-methoxy-N,1-dimethylpyrazole-4-carboxamide
CID 121092174
N-[2-(3-chloro-4-methoxyanilino)-2-oxoethyl]-3-methoxy-N,1-dimethylpyrazole-4-carboxamide
CID 121092232
N-[2-(3-fluoro-4-methylanilino)-2-oxoethyl]-3-methoxy-N,1-dimethylpyrazole-4-carboxamide
CID 121092184
N-[2-(3-acetylanilino)-2-oxoethyl]-3-methoxy-N,1-dimethylpyrazole-4-carboxamide
CID 121092150
N-[4-[(4-cyanophenyl)carbamoyl]phenyl]-3-methoxy-1-methylpyrazole-4-carboxamide
CID 121080000
3-methoxy-N,1-dimethyl-N-[2-(3-nitroanilino)-2-oxoethyl]pyrazole-4-carboxamide
CID 121092131
3-methoxy-N,1-dimethyl-N-[2-[(3-methyl-2-pyridinyl)amino]-2-oxoethyl]pyrazole-4-carboxamide
CID 121092202
N-[2-(4-bromo-2-fluoroanilino)-2-oxoethyl]-3-methoxy-N,1-dimethylpyrazole-4-carboxamide
CID 121092168
3-methoxy-N-[2-(3-methoxypropylamino)-2-oxoethyl]-N,1-dimethylpyrazole-4-carboxamide
CID 121092078

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-cyanoanilino)-2-oxoethyl]-3-methoxy-N,1-dimethylpyrazole-4-carboxamide?
The IUPAC name of N-[2-(4-cyanoanilino)-2-oxoethyl]-3-methoxy-N,1-dimethylpyrazole-4-carboxamide (CID 121092285) is N-[2-(4-cyanoanilino)-2-oxoethyl]-3-methoxy-N,1-dimethylpyrazole-4-carboxamide.
What is the SMILES notation for N-[2-(4-cyanoanilino)-2-oxoethyl]-3-methoxy-N,1-dimethylpyrazole-4-carboxamide?
The canonical SMILES for N-[2-(4-cyanoanilino)-2-oxoethyl]-3-methoxy-N,1-dimethylpyrazole-4-carboxamide is COc1nn(C)cc1C(=O)N(C)CC(=O)Nc1ccc(C#N)cc1.
What is the InChIKey of N-[2-(4-cyanoanilino)-2-oxoethyl]-3-methoxy-N,1-dimethylpyrazole-4-carboxamide?
The InChIKey is GNVQGMCVWHNMPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N5O3/c1-20(16(23)13-9-21(2)19-15(13)24-3)10-14(22)18-12-6-4-11(8-17)5-7-12/h4-7,9H,10H2,1-3H3,(H,18,22).
What are the key properties of N-[2-(4-cyanoanilino)-2-oxoethyl]-3-methoxy-N,1-dimethylpyrazole-4-carboxamide?
N-[2-(4-cyanoanilino)-2-oxoethyl]-3-methoxy-N,1-dimethylpyrazole-4-carboxamide has a molecular weight of 327.34 g/mol, XLogP of 1.01, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-cyanoanilino)-2-oxoethyl]-3-methoxy-N,1-dimethylpyrazole-4-carboxamide is sourced from PubChem (CID 121092285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).