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

C16H17N5O — CID 135642422

IUPACN-[(E)-1H-indol-3-ylmethylideneamino]-5-propan-2-yl-1H-pyrazole-3-carboxamide
SMILESCC(C)c1cc(C(=O)N/N=C/c2c[nH]c3ccccc23)n[nH]1
InChIInChI=1S/C16H17N5O/c1-10(2)14-7-15(20-19-14)16(22)21-18-9-11-8-17-13-6-4-3-5-12(11)13/h3-10,17H,1-2H3,(H,19,20)(H,21,22)/b18-9+
InChIKeyUTOUGDJDGTUVKP-GIJQJNRQSA-N
MW295.35 g/mol
LogP2.78
Rot. Bonds4

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

N-[(E)-1H-indol-3-ylmethylideneamino]-5-propan-2-yl-1H-pyrazole-3-carboxamide (PubChem CID 135642422) has the molecular formula C16H17N5O and a molecular weight of 295.35 g/mol. Its IUPAC name is N-[(E)-1H-indol-3-ylmethylideneamino]-5-propan-2-yl-1H-pyrazole-3-carboxamide.

Molecular Properties

Compound NameN-[(E)-1H-indol-3-ylmethylideneamino]-5-propan-2-yl-1H-pyrazole-3-carboxamide
PubChem CID135642422
Molecular FormulaC16H17N5O
Molecular Weight295.35 g/mol
Exact Mass295.14
IUPAC NameN-[(E)-1H-indol-3-ylmethylideneamino]-5-propan-2-yl-1H-pyrazole-3-carboxamide
SMILESCC(C)c1cc(C(=O)N/N=C/c2c[nH]c3ccccc23)n[nH]1
InChIInChI=1S/C16H17N5O/c1-10(2)14-7-15(20-19-14)16(22)21-18-9-11-8-17-13-6-4-3-5-12(11)13/h3-10,17H,1-2H3,(H,19,20)(H,21,22)/b18-9+
InChIKeyUTOUGDJDGTUVKP-GIJQJNRQSA-N
XLogP2.78
TPSA85.93 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.35
LogP ≤ 52.78
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 N-[(E)-1H-indol-3-ylmethylideneamino]-5-propan-2-yl-1H-pyrazole-3-carboxamide?
The IUPAC name of N-[(E)-1H-indol-3-ylmethylideneamino]-5-propan-2-yl-1H-pyrazole-3-carboxamide (CID 135642422) is N-[(E)-1H-indol-3-ylmethylideneamino]-5-propan-2-yl-1H-pyrazole-3-carboxamide.
What is the SMILES notation for N-[(E)-1H-indol-3-ylmethylideneamino]-5-propan-2-yl-1H-pyrazole-3-carboxamide?
The canonical SMILES for N-[(E)-1H-indol-3-ylmethylideneamino]-5-propan-2-yl-1H-pyrazole-3-carboxamide is CC(C)c1cc(C(=O)N/N=C/c2c[nH]c3ccccc23)n[nH]1.
What is the InChIKey of N-[(E)-1H-indol-3-ylmethylideneamino]-5-propan-2-yl-1H-pyrazole-3-carboxamide?
The InChIKey is UTOUGDJDGTUVKP-GIJQJNRQSA-N. The full InChI is InChI=1S/C16H17N5O/c1-10(2)14-7-15(20-19-14)16(22)21-18-9-11-8-17-13-6-4-3-5-12(11)13/h3-10,17H,1-2H3,(H,19,20)(H,21,22)/b18-9+.
What are the key properties of N-[(E)-1H-indol-3-ylmethylideneamino]-5-propan-2-yl-1H-pyrazole-3-carboxamide?
N-[(E)-1H-indol-3-ylmethylideneamino]-5-propan-2-yl-1H-pyrazole-3-carboxamide has a molecular weight of 295.35 g/mol, XLogP of 2.78, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-1H-indol-3-ylmethylideneamino]-5-propan-2-yl-1H-pyrazole-3-carboxamide is sourced from PubChem (CID 135642422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).