3-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[(E)-1H-indol-3-ylmethylideneamino]propanamide

C17H19N5O — CID 135519155

IUPAC3-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[(E)-1H-indol-3-ylmethylideneamino]propanamide
SMILESCc1n[nH]c(C)c1CCC(=O)N/N=C/c1c[nH]c2ccccc12
InChIInChI=1S/C17H19N5O/c1-11-14(12(2)21-20-11)7-8-17(23)22-19-10-13-9-18-16-6-4-3-5-15(13)16/h3-6,9-10,18H,7-8H2,1-2H3,(H,20,21)(H,22,23)/b19-10+
InChIKeyRKPYZPWPMVTGBB-VXLYETTFSA-N
MW309.37 g/mol
LogP2.59
Rot. Bonds5

About 3-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[(E)-1H-indol-3-ylmethylideneamino]propanamide

3-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[(E)-1H-indol-3-ylmethylideneamino]propanamide (PubChem CID 135519155) has the molecular formula C17H19N5O and a molecular weight of 309.37 g/mol. Its IUPAC name is 3-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[(E)-1H-indol-3-ylmethylideneamino]propanamide.

Molecular Properties

Compound Name3-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[(E)-1H-indol-3-ylmethylideneamino]propanamide
PubChem CID135519155
Molecular FormulaC17H19N5O
Molecular Weight309.37 g/mol
Exact Mass309.16
IUPAC Name3-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[(E)-1H-indol-3-ylmethylideneamino]propanamide
SMILESCc1n[nH]c(C)c1CCC(=O)N/N=C/c1c[nH]c2ccccc12
InChIInChI=1S/C17H19N5O/c1-11-14(12(2)21-20-11)7-8-17(23)22-19-10-13-9-18-16-6-4-3-5-15(13)16/h3-6,9-10,18H,7-8H2,1-2H3,(H,20,21)(H,22,23)/b19-10+
InChIKeyRKPYZPWPMVTGBB-VXLYETTFSA-N
XLogP2.59
TPSA85.93 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.37
LogP ≤ 52.59
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 3-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[(E)-1H-indol-3-ylmethylideneamino]propanamide?
The IUPAC name of 3-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[(E)-1H-indol-3-ylmethylideneamino]propanamide (CID 135519155) is 3-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[(E)-1H-indol-3-ylmethylideneamino]propanamide.
What is the SMILES notation for 3-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[(E)-1H-indol-3-ylmethylideneamino]propanamide?
The canonical SMILES for 3-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[(E)-1H-indol-3-ylmethylideneamino]propanamide is Cc1n[nH]c(C)c1CCC(=O)N/N=C/c1c[nH]c2ccccc12.
What is the InChIKey of 3-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[(E)-1H-indol-3-ylmethylideneamino]propanamide?
The InChIKey is RKPYZPWPMVTGBB-VXLYETTFSA-N. The full InChI is InChI=1S/C17H19N5O/c1-11-14(12(2)21-20-11)7-8-17(23)22-19-10-13-9-18-16-6-4-3-5-15(13)16/h3-6,9-10,18H,7-8H2,1-2H3,(H,20,21)(H,22,23)/b19-10+.
What are the key properties of 3-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[(E)-1H-indol-3-ylmethylideneamino]propanamide?
3-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[(E)-1H-indol-3-ylmethylideneamino]propanamide has a molecular weight of 309.37 g/mol, XLogP of 2.59, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[(E)-1H-indol-3-ylmethylideneamino]propanamide is sourced from PubChem (CID 135519155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).