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

C16H11N5O2S — CID 935724

IUPACN-[(2-hydroxy-1H-indol-3-yl)imino]-5-thiophen-2-yl-1H-pyrazole-3-carboxamide
SMILESO=C(/N=N/c1c(O)[nH]c2ccccc12)c1cc(-c2cccs2)[nH]n1
InChIInChI=1S/C16H11N5O2S/c22-15(12-8-11(18-19-12)13-6-3-7-24-13)21-20-14-9-4-1-2-5-10(9)17-16(14)23/h1-8,17,23H,(H,18,19)/b21-20+
InChIKeyPQRWBAZSQJSTMV-QZQOTICOSA-N
MW337.36 g/mol
LogP4.25
Rot. Bonds3

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

N-[(2-hydroxy-1H-indol-3-yl)imino]-5-thiophen-2-yl-1H-pyrazole-3-carboxamide (PubChem CID 935724) has the molecular formula C16H11N5O2S and a molecular weight of 337.36 g/mol. Its IUPAC name is N-[(2-hydroxy-1H-indol-3-yl)imino]-5-thiophen-2-yl-1H-pyrazole-3-carboxamide.

Molecular Properties

Compound NameN-[(2-hydroxy-1H-indol-3-yl)imino]-5-thiophen-2-yl-1H-pyrazole-3-carboxamide
PubChem CID935724
Molecular FormulaC16H11N5O2S
Molecular Weight337.36 g/mol
Exact Mass337.06
IUPAC NameN-[(2-hydroxy-1H-indol-3-yl)imino]-5-thiophen-2-yl-1H-pyrazole-3-carboxamide
SMILESO=C(/N=N/c1c(O)[nH]c2ccccc12)c1cc(-c2cccs2)[nH]n1
InChIInChI=1S/C16H11N5O2S/c22-15(12-8-11(18-19-12)13-6-3-7-24-13)21-20-14-9-4-1-2-5-10(9)17-16(14)23/h1-8,17,23H,(H,18,19)/b21-20+
InChIKeyPQRWBAZSQJSTMV-QZQOTICOSA-N
XLogP4.25
TPSA106.49 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.36
LogP ≤ 54.25
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-thiophen-2-yl-1H-pyrazole-3-carboxamide?
The IUPAC name of N-[(2-hydroxy-1H-indol-3-yl)imino]-5-thiophen-2-yl-1H-pyrazole-3-carboxamide (CID 935724) is N-[(2-hydroxy-1H-indol-3-yl)imino]-5-thiophen-2-yl-1H-pyrazole-3-carboxamide.
What is the SMILES notation for N-[(2-hydroxy-1H-indol-3-yl)imino]-5-thiophen-2-yl-1H-pyrazole-3-carboxamide?
The canonical SMILES for N-[(2-hydroxy-1H-indol-3-yl)imino]-5-thiophen-2-yl-1H-pyrazole-3-carboxamide is O=C(/N=N/c1c(O)[nH]c2ccccc12)c1cc(-c2cccs2)[nH]n1.
What is the InChIKey of N-[(2-hydroxy-1H-indol-3-yl)imino]-5-thiophen-2-yl-1H-pyrazole-3-carboxamide?
The InChIKey is PQRWBAZSQJSTMV-QZQOTICOSA-N. The full InChI is InChI=1S/C16H11N5O2S/c22-15(12-8-11(18-19-12)13-6-3-7-24-13)21-20-14-9-4-1-2-5-10(9)17-16(14)23/h1-8,17,23H,(H,18,19)/b21-20+.
What are the key properties of N-[(2-hydroxy-1H-indol-3-yl)imino]-5-thiophen-2-yl-1H-pyrazole-3-carboxamide?
N-[(2-hydroxy-1H-indol-3-yl)imino]-5-thiophen-2-yl-1H-pyrazole-3-carboxamide has a molecular weight of 337.36 g/mol, XLogP of 4.25, 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-thiophen-2-yl-1H-pyrazole-3-carboxamide is sourced from PubChem (CID 935724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).