N-[4-[(Z)-N-hydroxy-C-methylcarbonimidoyl]phenyl]-1,3-dimethylpyrazole-4-carboxamide

C14H16N4O2 — CID 102801604

IUPACN-[4-[(Z)-N-hydroxy-C-methylcarbonimidoyl]phenyl]-1,3-dimethylpyrazole-4-carboxamide
SMILESC/C(=N/O)c1ccc(NC(=O)c2cn(C)nc2C)cc1
InChIInChI=1S/C14H16N4O2/c1-9(17-20)11-4-6-12(7-5-11)15-14(19)13-8-18(3)16-10(13)2/h4-8,20H,1-3H3,(H,15,19)/b17-9-
InChIKeyACUYNEXXLSJJSK-MFOYZWKCSA-N
MW272.31 g/mol
LogP2.18
Rot. Bonds3

About N-[4-[(Z)-N-hydroxy-C-methylcarbonimidoyl]phenyl]-1,3-dimethylpyrazole-4-carboxamide

N-[4-[(Z)-N-hydroxy-C-methylcarbonimidoyl]phenyl]-1,3-dimethylpyrazole-4-carboxamide (PubChem CID 102801604) has the molecular formula C14H16N4O2 and a molecular weight of 272.31 g/mol. Its IUPAC name is N-[4-[(Z)-N-hydroxy-C-methylcarbonimidoyl]phenyl]-1,3-dimethylpyrazole-4-carboxamide.

Molecular Properties

Compound NameN-[4-[(Z)-N-hydroxy-C-methylcarbonimidoyl]phenyl]-1,3-dimethylpyrazole-4-carboxamide
PubChem CID102801604
Molecular FormulaC14H16N4O2
Molecular Weight272.31 g/mol
Exact Mass272.13
IUPAC NameN-[4-[(Z)-N-hydroxy-C-methylcarbonimidoyl]phenyl]-1,3-dimethylpyrazole-4-carboxamide
SMILESC/C(=N/O)c1ccc(NC(=O)c2cn(C)nc2C)cc1
InChIInChI=1S/C14H16N4O2/c1-9(17-20)11-4-6-12(7-5-11)15-14(19)13-8-18(3)16-10(13)2/h4-8,20H,1-3H3,(H,15,19)/b17-9-
InChIKeyACUYNEXXLSJJSK-MFOYZWKCSA-N
XLogP2.18
TPSA79.51 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.31
LogP ≤ 52.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-(4-hydroxyphenyl)-1,3-dimethylpyrazole-4-carboxamide
CID 45285310
N-(4-fluorophenyl)-1,3-dimethylpyrazole-4-carboxamide
CID 45285306
N-[4-(hydroxymethyl)phenyl]-1,3-dimethylpyrazole-4-carboxamide
CID 103895193
1,3-dimethyl-N-[4-[1-(methylamino)ethyl]phenyl]pyrazole-4-carboxamide
CID 102801381
1,3-dimethyl-N-(4-nitrophenyl)pyrazole-4-carboxamide
CID 19474760
4-hydroxy-N-[4-[(Z)-N-hydroxy-C-methylcarbonimidoyl]phenyl]-2-methylbenzamide
CID 107671539
N-(6-fluoro-3-pyridinyl)-1,3-dimethylpyrazole-4-carboxamide
CID 103789989
N-(4-acetylphenyl)-1-ethyl-3-methylpyrazole-4-carboxamide
CID 19474225
N-[4-[1-(ethylamino)ethyl]phenyl]-1,3-dimethylpyrazole-4-carboxamide
CID 102801382
N-(3,4-dimethoxyphenyl)-1,3-dimethylpyrazole-4-carboxamide
CID 45285321
1,3-dimethyl-N-[4-(piperidin-1-ylmethyl)phenyl]pyrazole-4-carboxamide
CID 19474862
2-ethyl-N-[4-(N-hydroxy-C-methylcarbonimidoyl)phenyl]-5-methylpyrazole-3-carboxamide
CID 77113127

Frequently Asked Questions

What is the IUPAC name of N-[4-[(Z)-N-hydroxy-C-methylcarbonimidoyl]phenyl]-1,3-dimethylpyrazole-4-carboxamide?
The IUPAC name of N-[4-[(Z)-N-hydroxy-C-methylcarbonimidoyl]phenyl]-1,3-dimethylpyrazole-4-carboxamide (CID 102801604) is N-[4-[(Z)-N-hydroxy-C-methylcarbonimidoyl]phenyl]-1,3-dimethylpyrazole-4-carboxamide.
What is the SMILES notation for N-[4-[(Z)-N-hydroxy-C-methylcarbonimidoyl]phenyl]-1,3-dimethylpyrazole-4-carboxamide?
The canonical SMILES for N-[4-[(Z)-N-hydroxy-C-methylcarbonimidoyl]phenyl]-1,3-dimethylpyrazole-4-carboxamide is C/C(=N/O)c1ccc(NC(=O)c2cn(C)nc2C)cc1.
What is the InChIKey of N-[4-[(Z)-N-hydroxy-C-methylcarbonimidoyl]phenyl]-1,3-dimethylpyrazole-4-carboxamide?
The InChIKey is ACUYNEXXLSJJSK-MFOYZWKCSA-N. The full InChI is InChI=1S/C14H16N4O2/c1-9(17-20)11-4-6-12(7-5-11)15-14(19)13-8-18(3)16-10(13)2/h4-8,20H,1-3H3,(H,15,19)/b17-9-.
What are the key properties of N-[4-[(Z)-N-hydroxy-C-methylcarbonimidoyl]phenyl]-1,3-dimethylpyrazole-4-carboxamide?
N-[4-[(Z)-N-hydroxy-C-methylcarbonimidoyl]phenyl]-1,3-dimethylpyrazole-4-carboxamide has a molecular weight of 272.31 g/mol, XLogP of 2.18, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(Z)-N-hydroxy-C-methylcarbonimidoyl]phenyl]-1,3-dimethylpyrazole-4-carboxamide is sourced from PubChem (CID 102801604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).