N-[(E)-1-(1,3-dimethylpyrazol-4-yl)ethylideneamino]-1H-pyrazole-5-carboxamide

C11H14N6O — CID 7340169

IUPACN-[(E)-1-(1,3-dimethylpyrazol-4-yl)ethylideneamino]-1H-pyrazole-5-carboxamide
SMILESC/C(=N\NC(=O)c1ccn[nH]1)c1cn(C)nc1C
InChIInChI=1S/C11H14N6O/c1-7(9-6-17(3)16-8(9)2)13-15-11(18)10-4-5-12-14-10/h4-6H,1-3H3,(H,12,14)(H,15,18)/b13-7+
InChIKeySGUSESXGPKQIMC-NTUHNPAUSA-N
MW246.27 g/mol
LogP0.61
Rot. Bonds3

About N-[(E)-1-(1,3-dimethylpyrazol-4-yl)ethylideneamino]-1H-pyrazole-5-carboxamide

N-[(E)-1-(1,3-dimethylpyrazol-4-yl)ethylideneamino]-1H-pyrazole-5-carboxamide (PubChem CID 7340169) has the molecular formula C11H14N6O and a molecular weight of 246.27 g/mol. Its IUPAC name is N-[(E)-1-(1,3-dimethylpyrazol-4-yl)ethylideneamino]-1H-pyrazole-5-carboxamide.

Molecular Properties

Compound NameN-[(E)-1-(1,3-dimethylpyrazol-4-yl)ethylideneamino]-1H-pyrazole-5-carboxamide
PubChem CID7340169
Molecular FormulaC11H14N6O
Molecular Weight246.27 g/mol
Exact Mass246.12
IUPAC NameN-[(E)-1-(1,3-dimethylpyrazol-4-yl)ethylideneamino]-1H-pyrazole-5-carboxamide
SMILESC/C(=N\NC(=O)c1ccn[nH]1)c1cn(C)nc1C
InChIInChI=1S/C11H14N6O/c1-7(9-6-17(3)16-8(9)2)13-15-11(18)10-4-5-12-14-10/h4-6H,1-3H3,(H,12,14)(H,15,18)/b13-7+
InChIKeySGUSESXGPKQIMC-NTUHNPAUSA-N
XLogP0.61
TPSA87.96 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.27
LogP ≤ 50.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

4-iodo-1-methyl-N'-[(1-methyl-1H-pyrazol-5-yl)carbonyl]-1H-pyrazole-3-carbohydrazide
CID 1221769
[3-(4-methylpyrazol-1-yl)piperidin-1-yl]-(1H-pyrazol-5-yl)methanone
CID 53566469
[2-[(3,5-dimethylpyrazol-1-yl)methyl]pyrrolidin-1-yl]-(1H-pyrazol-5-yl)methanone
CID 56779547
1H-pyrazol-5-yl-[2-(1,3,5-trimethylpyrazol-4-yl)pyrrolidin-1-yl]methanone
CID 72143551
[4-[(1-methylpyrazol-4-yl)methyl]-1,4-diazepan-1-yl]-(1H-pyrazol-5-yl)methanone
CID 72143912
5-ethyl-4-methyl-N-[2-(5-methylpyrazol-1-yl)ethyl]-1H-pyrazole-3-carboxamide
CID 73945443
5-ethyl-4-methyl-N-[2-(3-methylpyrazol-1-yl)ethyl]-1H-pyrazole-3-carboxamide
CID 95857377
(1-methylpyrazol-3-yl)-[2-(1H-pyrazol-5-yl)pyrrolidin-1-yl]methanone
CID 110269349
Pyrazol-1-yl-(2,4,5-trimethylpyrazol-3-yl)methanone
CID 139236856
N-ethyl-3-methyl-N-[2-(1H-pyrazol-1-yl)ethyl]-1H-pyrazole-5-carboxamide
CID 56865921
(2S)-N-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-2-pyrazol-1-ylbutanamide
CID 100067084
N-methyl-N-(1H-pyrazol-5-ylmethyl)-1-(2,2,2-trifluoroethyl)pyrazole-3-carboxamide
CID 136573125

Frequently Asked Questions

What is the IUPAC name of N-[(E)-1-(1,3-dimethylpyrazol-4-yl)ethylideneamino]-1H-pyrazole-5-carboxamide?
The IUPAC name of N-[(E)-1-(1,3-dimethylpyrazol-4-yl)ethylideneamino]-1H-pyrazole-5-carboxamide (CID 7340169) is N-[(E)-1-(1,3-dimethylpyrazol-4-yl)ethylideneamino]-1H-pyrazole-5-carboxamide.
What is the SMILES notation for N-[(E)-1-(1,3-dimethylpyrazol-4-yl)ethylideneamino]-1H-pyrazole-5-carboxamide?
The canonical SMILES for N-[(E)-1-(1,3-dimethylpyrazol-4-yl)ethylideneamino]-1H-pyrazole-5-carboxamide is C/C(=N\NC(=O)c1ccn[nH]1)c1cn(C)nc1C.
What is the InChIKey of N-[(E)-1-(1,3-dimethylpyrazol-4-yl)ethylideneamino]-1H-pyrazole-5-carboxamide?
The InChIKey is SGUSESXGPKQIMC-NTUHNPAUSA-N. The full InChI is InChI=1S/C11H14N6O/c1-7(9-6-17(3)16-8(9)2)13-15-11(18)10-4-5-12-14-10/h4-6H,1-3H3,(H,12,14)(H,15,18)/b13-7+.
What are the key properties of N-[(E)-1-(1,3-dimethylpyrazol-4-yl)ethylideneamino]-1H-pyrazole-5-carboxamide?
N-[(E)-1-(1,3-dimethylpyrazol-4-yl)ethylideneamino]-1H-pyrazole-5-carboxamide has a molecular weight of 246.27 g/mol, XLogP of 0.61, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-1-(1,3-dimethylpyrazol-4-yl)ethylideneamino]-1H-pyrazole-5-carboxamide is sourced from PubChem (CID 7340169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).