N-(5-oxo-1,2-dihydropyrazol-3-yl)-N-propyl-2-(1H-pyrazol-5-yl)-1H-indole-6-carboxamide

C18H18N6O2 — CID 136601467

IUPACN-(5-oxo-1,2-dihydropyrazol-3-yl)-N-propyl-2-(1H-pyrazol-5-yl)-1H-indole-6-carboxamide
SMILESCCCN(C(=O)c1ccc2cc(-c3ccn[nH]3)[nH]c2c1)c1cc(=O)[nH][nH]1
InChIInChI=1S/C18H18N6O2/c1-2-7-24(16-10-17(25)23-22-16)18(26)12-4-3-11-8-15(20-14(11)9-12)13-5-6-19-21-13/h3-6,8-10,20H,2,7H2,1H3,(H,19,21)(H2,22,23,25)
InChIKeyMHKQEFOPGFFUQF-UHFFFAOYSA-N
MW350.38 g/mol
LogP2.63
Rot. Bonds5

About N-(5-oxo-1,2-dihydropyrazol-3-yl)-N-propyl-2-(1H-pyrazol-5-yl)-1H-indole-6-carboxamide

N-(5-oxo-1,2-dihydropyrazol-3-yl)-N-propyl-2-(1H-pyrazol-5-yl)-1H-indole-6-carboxamide (PubChem CID 136601467) has the molecular formula C18H18N6O2 and a molecular weight of 350.38 g/mol. Its IUPAC name is N-(5-oxo-1,2-dihydropyrazol-3-yl)-N-propyl-2-(1H-pyrazol-5-yl)-1H-indole-6-carboxamide.

Molecular Properties

Compound NameN-(5-oxo-1,2-dihydropyrazol-3-yl)-N-propyl-2-(1H-pyrazol-5-yl)-1H-indole-6-carboxamide
PubChem CID136601467
Molecular FormulaC18H18N6O2
Molecular Weight350.38 g/mol
Exact Mass350.15
IUPAC NameN-(5-oxo-1,2-dihydropyrazol-3-yl)-N-propyl-2-(1H-pyrazol-5-yl)-1H-indole-6-carboxamide
SMILESCCCN(C(=O)c1ccc2cc(-c3ccn[nH]3)[nH]c2c1)c1cc(=O)[nH][nH]1
InChIInChI=1S/C18H18N6O2/c1-2-7-24(16-10-17(25)23-22-16)18(26)12-4-3-11-8-15(20-14(11)9-12)13-5-6-19-21-13/h3-6,8-10,20H,2,7H2,1H3,(H,19,21)(H2,22,23,25)
InChIKeyMHKQEFOPGFFUQF-UHFFFAOYSA-N
XLogP2.63
TPSA113.43 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.38
LogP ≤ 52.63
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(5-oxo-1,2-dihydropyrazol-3-yl)-N-propyl-2-(1H-pyrazol-5-yl)-1H-indole-6-carboxamide?
The IUPAC name of N-(5-oxo-1,2-dihydropyrazol-3-yl)-N-propyl-2-(1H-pyrazol-5-yl)-1H-indole-6-carboxamide (CID 136601467) is N-(5-oxo-1,2-dihydropyrazol-3-yl)-N-propyl-2-(1H-pyrazol-5-yl)-1H-indole-6-carboxamide.
What is the SMILES notation for N-(5-oxo-1,2-dihydropyrazol-3-yl)-N-propyl-2-(1H-pyrazol-5-yl)-1H-indole-6-carboxamide?
The canonical SMILES for N-(5-oxo-1,2-dihydropyrazol-3-yl)-N-propyl-2-(1H-pyrazol-5-yl)-1H-indole-6-carboxamide is CCCN(C(=O)c1ccc2cc(-c3ccn[nH]3)[nH]c2c1)c1cc(=O)[nH][nH]1.
What is the InChIKey of N-(5-oxo-1,2-dihydropyrazol-3-yl)-N-propyl-2-(1H-pyrazol-5-yl)-1H-indole-6-carboxamide?
The InChIKey is MHKQEFOPGFFUQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N6O2/c1-2-7-24(16-10-17(25)23-22-16)18(26)12-4-3-11-8-15(20-14(11)9-12)13-5-6-19-21-13/h3-6,8-10,20H,2,7H2,1H3,(H,19,21)(H2,22,23,25).
What are the key properties of N-(5-oxo-1,2-dihydropyrazol-3-yl)-N-propyl-2-(1H-pyrazol-5-yl)-1H-indole-6-carboxamide?
N-(5-oxo-1,2-dihydropyrazol-3-yl)-N-propyl-2-(1H-pyrazol-5-yl)-1H-indole-6-carboxamide has a molecular weight of 350.38 g/mol, XLogP of 2.63, 5 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-oxo-1,2-dihydropyrazol-3-yl)-N-propyl-2-(1H-pyrazol-5-yl)-1H-indole-6-carboxamide is sourced from PubChem (CID 136601467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).