N-[(E)-(1,2-dimethylindol-3-yl)methylideneamino]-5-methyl-1H-pyrazole-3-carboxamide

C16H17N5O — CID 22299254

IUPACN-[(E)-(1,2-dimethylindol-3-yl)methylideneamino]-5-methyl-1H-pyrazole-3-carboxamide
SMILESCc1cc(C(=O)N/N=C/c2c(C)n(C)c3ccccc23)n[nH]1
InChIInChI=1S/C16H17N5O/c1-10-8-14(19-18-10)16(22)20-17-9-13-11(2)21(3)15-7-5-4-6-12(13)15/h4-9H,1-3H3,(H,18,19)(H,20,22)/b17-9+
InChIKeyXMGDASBBJDINJW-RQZCQDPDSA-N
MW295.35 g/mol
LogP2.28
Rot. Bonds3

About N-[(E)-(1,2-dimethylindol-3-yl)methylideneamino]-5-methyl-1H-pyrazole-3-carboxamide

N-[(E)-(1,2-dimethylindol-3-yl)methylideneamino]-5-methyl-1H-pyrazole-3-carboxamide (PubChem CID 22299254) has the molecular formula C16H17N5O and a molecular weight of 295.35 g/mol. Its IUPAC name is N-[(E)-(1,2-dimethylindol-3-yl)methylideneamino]-5-methyl-1H-pyrazole-3-carboxamide.

Molecular Properties

Compound NameN-[(E)-(1,2-dimethylindol-3-yl)methylideneamino]-5-methyl-1H-pyrazole-3-carboxamide
PubChem CID22299254
Molecular FormulaC16H17N5O
Molecular Weight295.35 g/mol
Exact Mass295.14
IUPAC NameN-[(E)-(1,2-dimethylindol-3-yl)methylideneamino]-5-methyl-1H-pyrazole-3-carboxamide
SMILESCc1cc(C(=O)N/N=C/c2c(C)n(C)c3ccccc23)n[nH]1
InChIInChI=1S/C16H17N5O/c1-10-8-14(19-18-10)16(22)20-17-9-13-11(2)21(3)15-7-5-4-6-12(13)15/h4-9H,1-3H3,(H,18,19)(H,20,22)/b17-9+
InChIKeyXMGDASBBJDINJW-RQZCQDPDSA-N
XLogP2.28
TPSA75.07 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.35
LogP ≤ 52.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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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Frequently Asked Questions

What is the IUPAC name of N-[(E)-(1,2-dimethylindol-3-yl)methylideneamino]-5-methyl-1H-pyrazole-3-carboxamide?
The IUPAC name of N-[(E)-(1,2-dimethylindol-3-yl)methylideneamino]-5-methyl-1H-pyrazole-3-carboxamide (CID 22299254) is N-[(E)-(1,2-dimethylindol-3-yl)methylideneamino]-5-methyl-1H-pyrazole-3-carboxamide.
What is the SMILES notation for N-[(E)-(1,2-dimethylindol-3-yl)methylideneamino]-5-methyl-1H-pyrazole-3-carboxamide?
The canonical SMILES for N-[(E)-(1,2-dimethylindol-3-yl)methylideneamino]-5-methyl-1H-pyrazole-3-carboxamide is Cc1cc(C(=O)N/N=C/c2c(C)n(C)c3ccccc23)n[nH]1.
What is the InChIKey of N-[(E)-(1,2-dimethylindol-3-yl)methylideneamino]-5-methyl-1H-pyrazole-3-carboxamide?
The InChIKey is XMGDASBBJDINJW-RQZCQDPDSA-N. The full InChI is InChI=1S/C16H17N5O/c1-10-8-14(19-18-10)16(22)20-17-9-13-11(2)21(3)15-7-5-4-6-12(13)15/h4-9H,1-3H3,(H,18,19)(H,20,22)/b17-9+.
What are the key properties of N-[(E)-(1,2-dimethylindol-3-yl)methylideneamino]-5-methyl-1H-pyrazole-3-carboxamide?
N-[(E)-(1,2-dimethylindol-3-yl)methylideneamino]-5-methyl-1H-pyrazole-3-carboxamide has a molecular weight of 295.35 g/mol, XLogP of 2.28, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-(1,2-dimethylindol-3-yl)methylideneamino]-5-methyl-1H-pyrazole-3-carboxamide is sourced from PubChem (CID 22299254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).