N-[(2-hydroxynaphthalen-1-yl)methylideneamino]-1-methylpyrazole-3-carboxamide

C16H14N4O2 — CID 725191

IUPACN-[(2-hydroxynaphthalen-1-yl)methylideneamino]-1-methylpyrazole-3-carboxamide
SMILESCn1ccc(C(=O)NN=Cc2c(O)ccc3ccccc23)n1
InChIInChI=1S/C16H14N4O2/c1-20-9-8-14(19-20)16(22)18-17-10-13-12-5-3-2-4-11(12)6-7-15(13)21/h2-10,21H,1H3,(H,18,22)
InChIKeyGFPKXBGTKNEDQD-UHFFFAOYSA-N
MW294.31 g/mol
LogP2.04
Rot. Bonds3

About N-[(2-hydroxynaphthalen-1-yl)methylideneamino]-1-methylpyrazole-3-carboxamide

N-[(2-hydroxynaphthalen-1-yl)methylideneamino]-1-methylpyrazole-3-carboxamide (PubChem CID 725191) has the molecular formula C16H14N4O2 and a molecular weight of 294.31 g/mol. Its IUPAC name is N-[(2-hydroxynaphthalen-1-yl)methylideneamino]-1-methylpyrazole-3-carboxamide.

Molecular Properties

Compound NameN-[(2-hydroxynaphthalen-1-yl)methylideneamino]-1-methylpyrazole-3-carboxamide
PubChem CID725191
Molecular FormulaC16H14N4O2
Molecular Weight294.31 g/mol
Exact Mass294.11
IUPAC NameN-[(2-hydroxynaphthalen-1-yl)methylideneamino]-1-methylpyrazole-3-carboxamide
SMILESCn1ccc(C(=O)NN=Cc2c(O)ccc3ccccc23)n1
InChIInChI=1S/C16H14N4O2/c1-20-9-8-14(19-20)16(22)18-17-10-13-12-5-3-2-4-11(12)6-7-15(13)21/h2-10,21H,1H3,(H,18,22)
InChIKeyGFPKXBGTKNEDQD-UHFFFAOYSA-N
XLogP2.04
TPSA79.51 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.31
LogP ≤ 52.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_A(479)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]-1-methylpyrazole-3-carboxamide
CID 135804376
N-[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]pyridine-2-carboxamide
CID 135504405
N-[(2-hydroxynaphthalen-1-yl)methylideneamino]quinoline-2-carboxamide
CID 3710730
N-[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]-3-methyl-4-oxophthalazine-1-carboxamide
CID 135582432
N-[(Z)-(2-hydroxynaphthalen-1-yl)methylideneamino]-5-methyl-1H-pyrazole-3-carboxamide
CID 135781772
1,3-bis[(Z)-(2-hydroxynaphthalen-1-yl)methylideneamino]urea
CID 136829549
1,3-bis[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]urea
CID 135533440
4-(dimethylamino)-N-[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]benzamide
CID 135465938
4-(dimethylamino)-N-[(Z)-(2-hydroxynaphthalen-1-yl)methylideneamino]benzamide
CID 136737019
N-[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]propanamide
CID 172961658
N-[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]-6-methylpyridine-3-carboxamide
CID 135578967
N,N'-bis[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]propanediamide
CID 135615439

Frequently Asked Questions

What is the IUPAC name of N-[(2-hydroxynaphthalen-1-yl)methylideneamino]-1-methylpyrazole-3-carboxamide?
The IUPAC name of N-[(2-hydroxynaphthalen-1-yl)methylideneamino]-1-methylpyrazole-3-carboxamide (CID 725191) is N-[(2-hydroxynaphthalen-1-yl)methylideneamino]-1-methylpyrazole-3-carboxamide.
What is the SMILES notation for N-[(2-hydroxynaphthalen-1-yl)methylideneamino]-1-methylpyrazole-3-carboxamide?
The canonical SMILES for N-[(2-hydroxynaphthalen-1-yl)methylideneamino]-1-methylpyrazole-3-carboxamide is Cn1ccc(C(=O)NN=Cc2c(O)ccc3ccccc23)n1.
What is the InChIKey of N-[(2-hydroxynaphthalen-1-yl)methylideneamino]-1-methylpyrazole-3-carboxamide?
The InChIKey is GFPKXBGTKNEDQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N4O2/c1-20-9-8-14(19-20)16(22)18-17-10-13-12-5-3-2-4-11(12)6-7-15(13)21/h2-10,21H,1H3,(H,18,22).
What are the key properties of N-[(2-hydroxynaphthalen-1-yl)methylideneamino]-1-methylpyrazole-3-carboxamide?
N-[(2-hydroxynaphthalen-1-yl)methylideneamino]-1-methylpyrazole-3-carboxamide has a molecular weight of 294.31 g/mol, XLogP of 2.04, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-hydroxynaphthalen-1-yl)methylideneamino]-1-methylpyrazole-3-carboxamide is sourced from PubChem (CID 725191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).