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

C19H15N5O2 — CID 4153222

IUPACN-[(2-hydroxy-1H-indol-3-yl)imino]-4-methyl-3-phenyl-1H-pyrazole-5-carboxamide
SMILESCc1c(-c2ccccc2)n[nH]c1C(=O)/N=N/c1c(O)[nH]c2ccccc12
InChIInChI=1S/C19H15N5O2/c1-11-15(12-7-3-2-4-8-12)21-22-16(11)19(26)24-23-17-13-9-5-6-10-14(13)20-18(17)25/h2-10,20,25H,1H3,(H,21,22)/b24-23+
InChIKeyWAOZNFYGAINALA-WCWDXBQESA-N
MW345.36 g/mol
LogP4.50
Rot. Bonds3

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

N-[(2-hydroxy-1H-indol-3-yl)imino]-4-methyl-3-phenyl-1H-pyrazole-5-carboxamide (PubChem CID 4153222) 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]-4-methyl-3-phenyl-1H-pyrazole-5-carboxamide.

Molecular Properties

Compound NameN-[(2-hydroxy-1H-indol-3-yl)imino]-4-methyl-3-phenyl-1H-pyrazole-5-carboxamide
PubChem CID4153222
Molecular FormulaC19H15N5O2
Molecular Weight345.36 g/mol
Exact Mass345.12
IUPAC NameN-[(2-hydroxy-1H-indol-3-yl)imino]-4-methyl-3-phenyl-1H-pyrazole-5-carboxamide
SMILESCc1c(-c2ccccc2)n[nH]c1C(=O)/N=N/c1c(O)[nH]c2ccccc12
InChIInChI=1S/C19H15N5O2/c1-11-15(12-7-3-2-4-8-12)21-22-16(11)19(26)24-23-17-13-9-5-6-10-14(13)20-18(17)25/h2-10,20,25H,1H3,(H,21,22)/b24-23+
InChIKeyWAOZNFYGAINALA-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]-4-methyl-3-phenyl-1H-pyrazole-5-carboxamide?
The IUPAC name of N-[(2-hydroxy-1H-indol-3-yl)imino]-4-methyl-3-phenyl-1H-pyrazole-5-carboxamide (CID 4153222) is N-[(2-hydroxy-1H-indol-3-yl)imino]-4-methyl-3-phenyl-1H-pyrazole-5-carboxamide.
What is the SMILES notation for N-[(2-hydroxy-1H-indol-3-yl)imino]-4-methyl-3-phenyl-1H-pyrazole-5-carboxamide?
The canonical SMILES for N-[(2-hydroxy-1H-indol-3-yl)imino]-4-methyl-3-phenyl-1H-pyrazole-5-carboxamide is Cc1c(-c2ccccc2)n[nH]c1C(=O)/N=N/c1c(O)[nH]c2ccccc12.
What is the InChIKey of N-[(2-hydroxy-1H-indol-3-yl)imino]-4-methyl-3-phenyl-1H-pyrazole-5-carboxamide?
The InChIKey is WAOZNFYGAINALA-WCWDXBQESA-N. The full InChI is InChI=1S/C19H15N5O2/c1-11-15(12-7-3-2-4-8-12)21-22-16(11)19(26)24-23-17-13-9-5-6-10-14(13)20-18(17)25/h2-10,20,25H,1H3,(H,21,22)/b24-23+.
What are the key properties of N-[(2-hydroxy-1H-indol-3-yl)imino]-4-methyl-3-phenyl-1H-pyrazole-5-carboxamide?
N-[(2-hydroxy-1H-indol-3-yl)imino]-4-methyl-3-phenyl-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]-4-methyl-3-phenyl-1H-pyrazole-5-carboxamide is sourced from PubChem (CID 4153222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).