N-(1H-indazol-5-yl)-3-(4-methoxyphenyl)-2,5-dihydropyrrole-1-carboxamide

C19H18N4O2 — CID 166207967

IUPACN-(1H-indazol-5-yl)-3-(4-methoxyphenyl)-2,5-dihydropyrrole-1-carboxamide
SMILESCOc1ccc(C2=CCN(C(=O)Nc3ccc4[nH]ncc4c3)C2)cc1
InChIInChI=1S/C19H18N4O2/c1-25-17-5-2-13(3-6-17)14-8-9-23(12-14)19(24)21-16-4-7-18-15(10-16)11-20-22-18/h2-8,10-11H,9,12H2,1H3,(H,20,22)(H,21,24)
InChIKeyAKBYVYXRMLAPMH-UHFFFAOYSA-N
MW334.38 g/mol
LogP3.50
Rot. Bonds3

About N-(1H-indazol-5-yl)-3-(4-methoxyphenyl)-2,5-dihydropyrrole-1-carboxamide

N-(1H-indazol-5-yl)-3-(4-methoxyphenyl)-2,5-dihydropyrrole-1-carboxamide (PubChem CID 166207967) has the molecular formula C19H18N4O2 and a molecular weight of 334.38 g/mol. Its IUPAC name is N-(1H-indazol-5-yl)-3-(4-methoxyphenyl)-2,5-dihydropyrrole-1-carboxamide.

Molecular Properties

Compound NameN-(1H-indazol-5-yl)-3-(4-methoxyphenyl)-2,5-dihydropyrrole-1-carboxamide
PubChem CID166207967
Molecular FormulaC19H18N4O2
Molecular Weight334.38 g/mol
Exact Mass334.14
IUPAC NameN-(1H-indazol-5-yl)-3-(4-methoxyphenyl)-2,5-dihydropyrrole-1-carboxamide
SMILESCOc1ccc(C2=CCN(C(=O)Nc3ccc4[nH]ncc4c3)C2)cc1
InChIInChI=1S/C19H18N4O2/c1-25-17-5-2-13(3-6-17)14-8-9-23(12-14)19(24)21-16-4-7-18-15(10-16)11-20-22-18/h2-8,10-11H,9,12H2,1H3,(H,20,22)(H,21,24)
InChIKeyAKBYVYXRMLAPMH-UHFFFAOYSA-N
XLogP3.50
TPSA70.25 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.38
LogP ≤ 53.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of N-(1H-indazol-5-yl)-3-(4-methoxyphenyl)-2,5-dihydropyrrole-1-carboxamide?
The IUPAC name of N-(1H-indazol-5-yl)-3-(4-methoxyphenyl)-2,5-dihydropyrrole-1-carboxamide (CID 166207967) is N-(1H-indazol-5-yl)-3-(4-methoxyphenyl)-2,5-dihydropyrrole-1-carboxamide.
What is the SMILES notation for N-(1H-indazol-5-yl)-3-(4-methoxyphenyl)-2,5-dihydropyrrole-1-carboxamide?
The canonical SMILES for N-(1H-indazol-5-yl)-3-(4-methoxyphenyl)-2,5-dihydropyrrole-1-carboxamide is COc1ccc(C2=CCN(C(=O)Nc3ccc4[nH]ncc4c3)C2)cc1.
What is the InChIKey of N-(1H-indazol-5-yl)-3-(4-methoxyphenyl)-2,5-dihydropyrrole-1-carboxamide?
The InChIKey is AKBYVYXRMLAPMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N4O2/c1-25-17-5-2-13(3-6-17)14-8-9-23(12-14)19(24)21-16-4-7-18-15(10-16)11-20-22-18/h2-8,10-11H,9,12H2,1H3,(H,20,22)(H,21,24).
What are the key properties of N-(1H-indazol-5-yl)-3-(4-methoxyphenyl)-2,5-dihydropyrrole-1-carboxamide?
N-(1H-indazol-5-yl)-3-(4-methoxyphenyl)-2,5-dihydropyrrole-1-carboxamide has a molecular weight of 334.38 g/mol, XLogP of 3.50, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1H-indazol-5-yl)-3-(4-methoxyphenyl)-2,5-dihydropyrrole-1-carboxamide is sourced from PubChem (CID 166207967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).