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

C18H15N5O2 — CID 135517135

IUPACN-[(E)-1H-indol-3-ylmethylideneamino]-5-(5-methylfuran-2-yl)-1H-pyrazole-3-carboxamide
SMILESCc1ccc(-c2cc(C(=O)N/N=C/c3c[nH]c4ccccc34)n[nH]2)o1
InChIInChI=1S/C18H15N5O2/c1-11-6-7-17(25-11)15-8-16(22-21-15)18(24)23-20-10-12-9-19-14-5-3-2-4-13(12)14/h2-10,19H,1H3,(H,21,22)(H,23,24)/b20-10+
InChIKeyDAFUAQGQDIUPDM-KEBDBYFISA-N
MW333.35 g/mol
LogP3.22
Rot. Bonds4

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

N-[(E)-1H-indol-3-ylmethylideneamino]-5-(5-methylfuran-2-yl)-1H-pyrazole-3-carboxamide (PubChem CID 135517135) has the molecular formula C18H15N5O2 and a molecular weight of 333.35 g/mol. Its IUPAC name is N-[(E)-1H-indol-3-ylmethylideneamino]-5-(5-methylfuran-2-yl)-1H-pyrazole-3-carboxamide.

Molecular Properties

Compound NameN-[(E)-1H-indol-3-ylmethylideneamino]-5-(5-methylfuran-2-yl)-1H-pyrazole-3-carboxamide
PubChem CID135517135
Molecular FormulaC18H15N5O2
Molecular Weight333.35 g/mol
Exact Mass333.12
IUPAC NameN-[(E)-1H-indol-3-ylmethylideneamino]-5-(5-methylfuran-2-yl)-1H-pyrazole-3-carboxamide
SMILESCc1ccc(-c2cc(C(=O)N/N=C/c3c[nH]c4ccccc34)n[nH]2)o1
InChIInChI=1S/C18H15N5O2/c1-11-6-7-17(25-11)15-8-16(22-21-15)18(24)23-20-10-12-9-19-14-5-3-2-4-13(12)14/h2-10,19H,1H3,(H,21,22)(H,23,24)/b20-10+
InChIKeyDAFUAQGQDIUPDM-KEBDBYFISA-N
XLogP3.22
TPSA99.07 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.35
LogP ≤ 53.22
H-Bond Donors ≤ 53
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)-1H-indol-3-ylmethylideneamino]-5-(5-methylfuran-2-yl)-1H-pyrazole-3-carboxamide?
The IUPAC name of N-[(E)-1H-indol-3-ylmethylideneamino]-5-(5-methylfuran-2-yl)-1H-pyrazole-3-carboxamide (CID 135517135) is N-[(E)-1H-indol-3-ylmethylideneamino]-5-(5-methylfuran-2-yl)-1H-pyrazole-3-carboxamide.
What is the SMILES notation for N-[(E)-1H-indol-3-ylmethylideneamino]-5-(5-methylfuran-2-yl)-1H-pyrazole-3-carboxamide?
The canonical SMILES for N-[(E)-1H-indol-3-ylmethylideneamino]-5-(5-methylfuran-2-yl)-1H-pyrazole-3-carboxamide is Cc1ccc(-c2cc(C(=O)N/N=C/c3c[nH]c4ccccc34)n[nH]2)o1.
What is the InChIKey of N-[(E)-1H-indol-3-ylmethylideneamino]-5-(5-methylfuran-2-yl)-1H-pyrazole-3-carboxamide?
The InChIKey is DAFUAQGQDIUPDM-KEBDBYFISA-N. The full InChI is InChI=1S/C18H15N5O2/c1-11-6-7-17(25-11)15-8-16(22-21-15)18(24)23-20-10-12-9-19-14-5-3-2-4-13(12)14/h2-10,19H,1H3,(H,21,22)(H,23,24)/b20-10+.
What are the key properties of N-[(E)-1H-indol-3-ylmethylideneamino]-5-(5-methylfuran-2-yl)-1H-pyrazole-3-carboxamide?
N-[(E)-1H-indol-3-ylmethylideneamino]-5-(5-methylfuran-2-yl)-1H-pyrazole-3-carboxamide has a molecular weight of 333.35 g/mol, XLogP of 3.22, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-1H-indol-3-ylmethylideneamino]-5-(5-methylfuran-2-yl)-1H-pyrazole-3-carboxamide is sourced from PubChem (CID 135517135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).