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

C17H13N5O2S — CID 1128590

IUPACN-[(2-hydroxy-1H-indol-3-yl)imino]-5-(5-methylthiophen-2-yl)-1H-pyrazole-3-carboxamide
SMILESCc1ccc(-c2cc(C(=O)/N=N/c3c(O)[nH]c4ccccc34)n[nH]2)s1
InChIInChI=1S/C17H13N5O2S/c1-9-6-7-14(25-9)12-8-13(20-19-12)16(23)22-21-15-10-4-2-3-5-11(10)18-17(15)24/h2-8,18,24H,1H3,(H,19,20)/b22-21+
InChIKeyWOVJPZLNAMFTRY-QURGRASLSA-N
MW351.39 g/mol
LogP4.56
Rot. Bonds3

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

N-[(2-hydroxy-1H-indol-3-yl)imino]-5-(5-methylthiophen-2-yl)-1H-pyrazole-3-carboxamide (PubChem CID 1128590) has the molecular formula C17H13N5O2S and a molecular weight of 351.39 g/mol. Its IUPAC name is N-[(2-hydroxy-1H-indol-3-yl)imino]-5-(5-methylthiophen-2-yl)-1H-pyrazole-3-carboxamide.

Molecular Properties

Compound NameN-[(2-hydroxy-1H-indol-3-yl)imino]-5-(5-methylthiophen-2-yl)-1H-pyrazole-3-carboxamide
PubChem CID1128590
Molecular FormulaC17H13N5O2S
Molecular Weight351.39 g/mol
Exact Mass351.08
IUPAC NameN-[(2-hydroxy-1H-indol-3-yl)imino]-5-(5-methylthiophen-2-yl)-1H-pyrazole-3-carboxamide
SMILESCc1ccc(-c2cc(C(=O)/N=N/c3c(O)[nH]c4ccccc34)n[nH]2)s1
InChIInChI=1S/C17H13N5O2S/c1-9-6-7-14(25-9)12-8-13(20-19-12)16(23)22-21-15-10-4-2-3-5-11(10)18-17(15)24/h2-8,18,24H,1H3,(H,19,20)/b22-21+
InChIKeyWOVJPZLNAMFTRY-QURGRASLSA-N
XLogP4.56
TPSA106.49 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.39
LogP ≤ 54.56
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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]-5-(5-methylthiophen-2-yl)-1H-pyrazole-3-carboxamide?
The IUPAC name of N-[(2-hydroxy-1H-indol-3-yl)imino]-5-(5-methylthiophen-2-yl)-1H-pyrazole-3-carboxamide (CID 1128590) is N-[(2-hydroxy-1H-indol-3-yl)imino]-5-(5-methylthiophen-2-yl)-1H-pyrazole-3-carboxamide.
What is the SMILES notation for N-[(2-hydroxy-1H-indol-3-yl)imino]-5-(5-methylthiophen-2-yl)-1H-pyrazole-3-carboxamide?
The canonical SMILES for N-[(2-hydroxy-1H-indol-3-yl)imino]-5-(5-methylthiophen-2-yl)-1H-pyrazole-3-carboxamide is Cc1ccc(-c2cc(C(=O)/N=N/c3c(O)[nH]c4ccccc34)n[nH]2)s1.
What is the InChIKey of N-[(2-hydroxy-1H-indol-3-yl)imino]-5-(5-methylthiophen-2-yl)-1H-pyrazole-3-carboxamide?
The InChIKey is WOVJPZLNAMFTRY-QURGRASLSA-N. The full InChI is InChI=1S/C17H13N5O2S/c1-9-6-7-14(25-9)12-8-13(20-19-12)16(23)22-21-15-10-4-2-3-5-11(10)18-17(15)24/h2-8,18,24H,1H3,(H,19,20)/b22-21+.
What are the key properties of N-[(2-hydroxy-1H-indol-3-yl)imino]-5-(5-methylthiophen-2-yl)-1H-pyrazole-3-carboxamide?
N-[(2-hydroxy-1H-indol-3-yl)imino]-5-(5-methylthiophen-2-yl)-1H-pyrazole-3-carboxamide has a molecular weight of 351.39 g/mol, XLogP of 4.56, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-hydroxy-1H-indol-3-yl)imino]-5-(5-methylthiophen-2-yl)-1H-pyrazole-3-carboxamide is sourced from PubChem (CID 1128590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).