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

C17H14N6O2 — CID 716816

IUPACN-[(2-hydroxy-1H-indol-3-yl)imino]-3-(1-methylpyrrol-2-yl)-1H-pyrazole-5-carboxamide
SMILESCn1cccc1-c1cc(C(=O)/N=N/c2c(O)[nH]c3ccccc23)[nH]n1
InChIInChI=1S/C17H14N6O2/c1-23-8-4-7-14(23)12-9-13(20-19-12)16(24)22-21-15-10-5-2-3-6-11(10)18-17(15)25/h2-9,18,25H,1H3,(H,19,20)/b22-21+
InChIKeyOLEPOHLBFISMSR-QURGRASLSA-N
MW334.34 g/mol
LogP3.53
Rot. Bonds3

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

N-[(2-hydroxy-1H-indol-3-yl)imino]-3-(1-methylpyrrol-2-yl)-1H-pyrazole-5-carboxamide (PubChem CID 716816) has the molecular formula C17H14N6O2 and a molecular weight of 334.34 g/mol. Its IUPAC name is N-[(2-hydroxy-1H-indol-3-yl)imino]-3-(1-methylpyrrol-2-yl)-1H-pyrazole-5-carboxamide.

Molecular Properties

Compound NameN-[(2-hydroxy-1H-indol-3-yl)imino]-3-(1-methylpyrrol-2-yl)-1H-pyrazole-5-carboxamide
PubChem CID716816
Molecular FormulaC17H14N6O2
Molecular Weight334.34 g/mol
Exact Mass334.12
IUPAC NameN-[(2-hydroxy-1H-indol-3-yl)imino]-3-(1-methylpyrrol-2-yl)-1H-pyrazole-5-carboxamide
SMILESCn1cccc1-c1cc(C(=O)/N=N/c2c(O)[nH]c3ccccc23)[nH]n1
InChIInChI=1S/C17H14N6O2/c1-23-8-4-7-14(23)12-9-13(20-19-12)16(24)22-21-15-10-5-2-3-6-11(10)18-17(15)25/h2-9,18,25H,1H3,(H,19,20)/b22-21+
InChIKeyOLEPOHLBFISMSR-QURGRASLSA-N
XLogP3.53
TPSA111.42 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.34
LogP ≤ 53.53
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]-3-(1-methylpyrrol-2-yl)-1H-pyrazole-5-carboxamide?
The IUPAC name of N-[(2-hydroxy-1H-indol-3-yl)imino]-3-(1-methylpyrrol-2-yl)-1H-pyrazole-5-carboxamide (CID 716816) is N-[(2-hydroxy-1H-indol-3-yl)imino]-3-(1-methylpyrrol-2-yl)-1H-pyrazole-5-carboxamide.
What is the SMILES notation for N-[(2-hydroxy-1H-indol-3-yl)imino]-3-(1-methylpyrrol-2-yl)-1H-pyrazole-5-carboxamide?
The canonical SMILES for N-[(2-hydroxy-1H-indol-3-yl)imino]-3-(1-methylpyrrol-2-yl)-1H-pyrazole-5-carboxamide is Cn1cccc1-c1cc(C(=O)/N=N/c2c(O)[nH]c3ccccc23)[nH]n1.
What is the InChIKey of N-[(2-hydroxy-1H-indol-3-yl)imino]-3-(1-methylpyrrol-2-yl)-1H-pyrazole-5-carboxamide?
The InChIKey is OLEPOHLBFISMSR-QURGRASLSA-N. The full InChI is InChI=1S/C17H14N6O2/c1-23-8-4-7-14(23)12-9-13(20-19-12)16(24)22-21-15-10-5-2-3-6-11(10)18-17(15)25/h2-9,18,25H,1H3,(H,19,20)/b22-21+.
What are the key properties of N-[(2-hydroxy-1H-indol-3-yl)imino]-3-(1-methylpyrrol-2-yl)-1H-pyrazole-5-carboxamide?
N-[(2-hydroxy-1H-indol-3-yl)imino]-3-(1-methylpyrrol-2-yl)-1H-pyrazole-5-carboxamide has a molecular weight of 334.34 g/mol, XLogP of 3.53, 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]-3-(1-methylpyrrol-2-yl)-1H-pyrazole-5-carboxamide is sourced from PubChem (CID 716816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).