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

C15H15N5O — CID 135457649

IUPAC5-methyl-N-[(E)-(2-methyl-1H-indol-3-yl)methylideneamino]-1H-pyrazole-3-carboxamide
SMILESCc1cc(C(=O)N/N=C/c2c(C)[nH]c3ccccc23)n[nH]1
InChIInChI=1S/C15H15N5O/c1-9-7-14(19-18-9)15(21)20-16-8-12-10(2)17-13-6-4-3-5-11(12)13/h3-8,17H,1-2H3,(H,18,19)(H,20,21)/b16-8+
InChIKeyMVNHJPKTKPEFHI-LZYBPNLTSA-N
MW281.32 g/mol
LogP2.27
Rot. Bonds3

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

5-methyl-N-[(E)-(2-methyl-1H-indol-3-yl)methylideneamino]-1H-pyrazole-3-carboxamide (PubChem CID 135457649) has the molecular formula C15H15N5O and a molecular weight of 281.32 g/mol. Its IUPAC name is 5-methyl-N-[(E)-(2-methyl-1H-indol-3-yl)methylideneamino]-1H-pyrazole-3-carboxamide.

Molecular Properties

Compound Name5-methyl-N-[(E)-(2-methyl-1H-indol-3-yl)methylideneamino]-1H-pyrazole-3-carboxamide
PubChem CID135457649
Molecular FormulaC15H15N5O
Molecular Weight281.32 g/mol
Exact Mass281.13
IUPAC Name5-methyl-N-[(E)-(2-methyl-1H-indol-3-yl)methylideneamino]-1H-pyrazole-3-carboxamide
SMILESCc1cc(C(=O)N/N=C/c2c(C)[nH]c3ccccc23)n[nH]1
InChIInChI=1S/C15H15N5O/c1-9-7-14(19-18-9)15(21)20-16-8-12-10(2)17-13-6-4-3-5-11(12)13/h3-8,17H,1-2H3,(H,18,19)(H,20,21)/b16-8+
InChIKeyMVNHJPKTKPEFHI-LZYBPNLTSA-N
XLogP2.27
TPSA85.93 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.32
LogP ≤ 52.27
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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 5-methyl-N-[(E)-(2-methyl-1H-indol-3-yl)methylideneamino]-1H-pyrazole-3-carboxamide?
The IUPAC name of 5-methyl-N-[(E)-(2-methyl-1H-indol-3-yl)methylideneamino]-1H-pyrazole-3-carboxamide (CID 135457649) is 5-methyl-N-[(E)-(2-methyl-1H-indol-3-yl)methylideneamino]-1H-pyrazole-3-carboxamide.
What is the SMILES notation for 5-methyl-N-[(E)-(2-methyl-1H-indol-3-yl)methylideneamino]-1H-pyrazole-3-carboxamide?
The canonical SMILES for 5-methyl-N-[(E)-(2-methyl-1H-indol-3-yl)methylideneamino]-1H-pyrazole-3-carboxamide is Cc1cc(C(=O)N/N=C/c2c(C)[nH]c3ccccc23)n[nH]1.
What is the InChIKey of 5-methyl-N-[(E)-(2-methyl-1H-indol-3-yl)methylideneamino]-1H-pyrazole-3-carboxamide?
The InChIKey is MVNHJPKTKPEFHI-LZYBPNLTSA-N. The full InChI is InChI=1S/C15H15N5O/c1-9-7-14(19-18-9)15(21)20-16-8-12-10(2)17-13-6-4-3-5-11(12)13/h3-8,17H,1-2H3,(H,18,19)(H,20,21)/b16-8+.
What are the key properties of 5-methyl-N-[(E)-(2-methyl-1H-indol-3-yl)methylideneamino]-1H-pyrazole-3-carboxamide?
5-methyl-N-[(E)-(2-methyl-1H-indol-3-yl)methylideneamino]-1H-pyrazole-3-carboxamide has a molecular weight of 281.32 g/mol, XLogP of 2.27, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-N-[(E)-(2-methyl-1H-indol-3-yl)methylideneamino]-1H-pyrazole-3-carboxamide is sourced from PubChem (CID 135457649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).