(3-methyl-2H-indazol-5-yl)-(3-phenyl-2,5-dihydropyrrol-1-yl)methanone

C19H17N3O — CID 154852634

IUPAC(3-methyl-2H-indazol-5-yl)-(3-phenyl-2,5-dihydropyrrol-1-yl)methanone
SMILESCc1[nH]nc2ccc(C(=O)N3CC=C(c4ccccc4)C3)cc12
InChIInChI=1S/C19H17N3O/c1-13-17-11-15(7-8-18(17)21-20-13)19(23)22-10-9-16(12-22)14-5-3-2-4-6-14/h2-9,11H,10,12H2,1H3,(H,20,21)
InChIKeyCOWMOOZDOSEZQI-UHFFFAOYSA-N
MW303.37 g/mol
LogP3.41
Rot. Bonds2

About (3-methyl-2H-indazol-5-yl)-(3-phenyl-2,5-dihydropyrrol-1-yl)methanone

(3-methyl-2H-indazol-5-yl)-(3-phenyl-2,5-dihydropyrrol-1-yl)methanone (PubChem CID 154852634) has the molecular formula C19H17N3O and a molecular weight of 303.37 g/mol. Its IUPAC name is (3-methyl-2H-indazol-5-yl)-(3-phenyl-2,5-dihydropyrrol-1-yl)methanone.

Molecular Properties

Compound Name(3-methyl-2H-indazol-5-yl)-(3-phenyl-2,5-dihydropyrrol-1-yl)methanone
PubChem CID154852634
Molecular FormulaC19H17N3O
Molecular Weight303.37 g/mol
Exact Mass303.14
IUPAC Name(3-methyl-2H-indazol-5-yl)-(3-phenyl-2,5-dihydropyrrol-1-yl)methanone
SMILESCc1[nH]nc2ccc(C(=O)N3CC=C(c4ccccc4)C3)cc12
InChIInChI=1S/C19H17N3O/c1-13-17-11-15(7-8-18(17)21-20-13)19(23)22-10-9-16(12-22)14-5-3-2-4-6-14/h2-9,11H,10,12H2,1H3,(H,20,21)
InChIKeyCOWMOOZDOSEZQI-UHFFFAOYSA-N
XLogP3.41
TPSA48.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.37
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-methyl-1-(3-methyl-2H-indazol-5-yl)propan-1-one
CID 59765588
(3,5-dimethyl-1H-indol-2-yl)-(3-phenyl-2,5-dihydropyrrol-1-yl)methanone
CID 167920201
[4-[(4-methylpiperazin-1-yl)methyl]phenyl]-(3-phenyl-2,5-dihydropyrrol-1-yl)methanone
CID 136521683
(5-chloro-4-methyl-3-pyridinyl)-(3-phenyl-2,5-dihydropyrrol-1-yl)methanone
CID 167974884
2-(2-benzoylprop-2-enyl)-4-(3-methyl-2H-indazol-5-yl)-3H-isoindol-1-one
CID 162528917
(3,4-dichlorophenyl)-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)methanone
CID 2568947
2,4-dimethyl-5-(3-phenyl-2,5-dihydropyrrole-1-carbonyl)-1H-pyrrole-3-sulfonamide
CID 166205095
(4-chloro-1-methylpyrrol-2-yl)-(3-phenyl-2,5-dihydropyrrol-1-yl)methanone
CID 167748506
(4-chloro-1H-pyrrol-2-yl)-(3-phenyl-2,5-dihydropyrrol-1-yl)methanone
CID 167843808
(3-methylsulfonylphenyl)-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)methanone
CID 38295435
3-methyl-7-(4-phenyl-3,6-dihydro-2H-pyridine-1-carbonyl)-1H-quinolin-2-one
CID 59474898
N-ethyl-3-methyl-2H-indazole-5-carboxamide
CID 58243589

Frequently Asked Questions

What is the IUPAC name of (3-methyl-2H-indazol-5-yl)-(3-phenyl-2,5-dihydropyrrol-1-yl)methanone?
The IUPAC name of (3-methyl-2H-indazol-5-yl)-(3-phenyl-2,5-dihydropyrrol-1-yl)methanone (CID 154852634) is (3-methyl-2H-indazol-5-yl)-(3-phenyl-2,5-dihydropyrrol-1-yl)methanone.
What is the SMILES notation for (3-methyl-2H-indazol-5-yl)-(3-phenyl-2,5-dihydropyrrol-1-yl)methanone?
The canonical SMILES for (3-methyl-2H-indazol-5-yl)-(3-phenyl-2,5-dihydropyrrol-1-yl)methanone is Cc1[nH]nc2ccc(C(=O)N3CC=C(c4ccccc4)C3)cc12.
What is the InChIKey of (3-methyl-2H-indazol-5-yl)-(3-phenyl-2,5-dihydropyrrol-1-yl)methanone?
The InChIKey is COWMOOZDOSEZQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N3O/c1-13-17-11-15(7-8-18(17)21-20-13)19(23)22-10-9-16(12-22)14-5-3-2-4-6-14/h2-9,11H,10,12H2,1H3,(H,20,21).
What are the key properties of (3-methyl-2H-indazol-5-yl)-(3-phenyl-2,5-dihydropyrrol-1-yl)methanone?
(3-methyl-2H-indazol-5-yl)-(3-phenyl-2,5-dihydropyrrol-1-yl)methanone has a molecular weight of 303.37 g/mol, XLogP of 3.41, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-methyl-2H-indazol-5-yl)-(3-phenyl-2,5-dihydropyrrol-1-yl)methanone is sourced from PubChem (CID 154852634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).