N-[(2-hydroxy-1H-indol-3-yl)imino]-3-(4-methylphenyl)-1H-pyrazole-5-carboxamide

C19H15N5O2 — CID 744893

IUPACN-[(2-hydroxy-1H-indol-3-yl)imino]-3-(4-methylphenyl)-1H-pyrazole-5-carboxamide
SMILESCc1ccc(-c2cc(C(=O)/N=N/c3c(O)[nH]c4ccccc34)[nH]n2)cc1
InChIInChI=1S/C19H15N5O2/c1-11-6-8-12(9-7-11)15-10-16(22-21-15)18(25)24-23-17-13-4-2-3-5-14(13)20-19(17)26/h2-10,20,26H,1H3,(H,21,22)/b24-23+
InChIKeyQUOBJJGZOKWLBA-WCWDXBQESA-N
MW345.36 g/mol
LogP4.50
Rot. Bonds3

About N-[(2-hydroxy-1H-indol-3-yl)imino]-3-(4-methylphenyl)-1H-pyrazole-5-carboxamide

N-[(2-hydroxy-1H-indol-3-yl)imino]-3-(4-methylphenyl)-1H-pyrazole-5-carboxamide (PubChem CID 744893) has the molecular formula C19H15N5O2 and a molecular weight of 345.36 g/mol. Its IUPAC name is N-[(2-hydroxy-1H-indol-3-yl)imino]-3-(4-methylphenyl)-1H-pyrazole-5-carboxamide.

Molecular Properties

Compound NameN-[(2-hydroxy-1H-indol-3-yl)imino]-3-(4-methylphenyl)-1H-pyrazole-5-carboxamide
PubChem CID744893
Molecular FormulaC19H15N5O2
Molecular Weight345.36 g/mol
Exact Mass345.12
IUPAC NameN-[(2-hydroxy-1H-indol-3-yl)imino]-3-(4-methylphenyl)-1H-pyrazole-5-carboxamide
SMILESCc1ccc(-c2cc(C(=O)/N=N/c3c(O)[nH]c4ccccc34)[nH]n2)cc1
InChIInChI=1S/C19H15N5O2/c1-11-6-8-12(9-7-11)15-10-16(22-21-15)18(25)24-23-17-13-4-2-3-5-14(13)20-19(17)26/h2-10,20,26H,1H3,(H,21,22)/b24-23+
InChIKeyQUOBJJGZOKWLBA-WCWDXBQESA-N
XLogP4.50
TPSA106.49 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.36
LogP ≤ 54.50
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[(2-hydroxy-1H-indol-3-yl)imino]-3-(4-methylphenyl)-1H-pyrazole-5-carboxamide?
The IUPAC name of N-[(2-hydroxy-1H-indol-3-yl)imino]-3-(4-methylphenyl)-1H-pyrazole-5-carboxamide (CID 744893) is N-[(2-hydroxy-1H-indol-3-yl)imino]-3-(4-methylphenyl)-1H-pyrazole-5-carboxamide.
What is the SMILES notation for N-[(2-hydroxy-1H-indol-3-yl)imino]-3-(4-methylphenyl)-1H-pyrazole-5-carboxamide?
The canonical SMILES for N-[(2-hydroxy-1H-indol-3-yl)imino]-3-(4-methylphenyl)-1H-pyrazole-5-carboxamide is Cc1ccc(-c2cc(C(=O)/N=N/c3c(O)[nH]c4ccccc34)[nH]n2)cc1.
What is the InChIKey of N-[(2-hydroxy-1H-indol-3-yl)imino]-3-(4-methylphenyl)-1H-pyrazole-5-carboxamide?
The InChIKey is QUOBJJGZOKWLBA-WCWDXBQESA-N. The full InChI is InChI=1S/C19H15N5O2/c1-11-6-8-12(9-7-11)15-10-16(22-21-15)18(25)24-23-17-13-4-2-3-5-14(13)20-19(17)26/h2-10,20,26H,1H3,(H,21,22)/b24-23+.
What are the key properties of N-[(2-hydroxy-1H-indol-3-yl)imino]-3-(4-methylphenyl)-1H-pyrazole-5-carboxamide?
N-[(2-hydroxy-1H-indol-3-yl)imino]-3-(4-methylphenyl)-1H-pyrazole-5-carboxamide has a molecular weight of 345.36 g/mol, XLogP of 4.50, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-hydroxy-1H-indol-3-yl)imino]-3-(4-methylphenyl)-1H-pyrazole-5-carboxamide is sourced from PubChem (CID 744893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).