2-(2H-indazol-3-yl)-1-[2-[(4-methylpyrazol-1-yl)methyl]pyrrolidin-1-yl]ethanone

C18H21N5O — CID 56779434

IUPAC2-(2H-indazol-3-yl)-1-[2-[(4-methylpyrazol-1-yl)methyl]pyrrolidin-1-yl]ethanone
SMILESCc1cnn(CC2CCCN2C(=O)Cc2[nH]nc3ccccc23)c1
InChIInChI=1S/C18H21N5O/c1-13-10-19-22(11-13)12-14-5-4-8-23(14)18(24)9-17-15-6-2-3-7-16(15)20-21-17/h2-3,6-7,10-11,14H,4-5,8-9,12H2,1H3,(H,20,21)
InChIKeySJLDRZNRVXGYOU-UHFFFAOYSA-N
MW323.40 g/mol
LogP2.30
Rot. Bonds4

About 2-(2H-indazol-3-yl)-1-[2-[(4-methylpyrazol-1-yl)methyl]pyrrolidin-1-yl]ethanone

2-(2H-indazol-3-yl)-1-[2-[(4-methylpyrazol-1-yl)methyl]pyrrolidin-1-yl]ethanone (PubChem CID 56779434) has the molecular formula C18H21N5O and a molecular weight of 323.40 g/mol. Its IUPAC name is 2-(2H-indazol-3-yl)-1-[2-[(4-methylpyrazol-1-yl)methyl]pyrrolidin-1-yl]ethanone.

Molecular Properties

Compound Name2-(2H-indazol-3-yl)-1-[2-[(4-methylpyrazol-1-yl)methyl]pyrrolidin-1-yl]ethanone
PubChem CID56779434
Molecular FormulaC18H21N5O
Molecular Weight323.40 g/mol
Exact Mass323.17
IUPAC Name2-(2H-indazol-3-yl)-1-[2-[(4-methylpyrazol-1-yl)methyl]pyrrolidin-1-yl]ethanone
SMILESCc1cnn(CC2CCCN2C(=O)Cc2[nH]nc3ccccc23)c1
InChIInChI=1S/C18H21N5O/c1-13-10-19-22(11-13)12-14-5-4-8-23(14)18(24)9-17-15-6-2-3-7-16(15)20-21-17/h2-3,6-7,10-11,14H,4-5,8-9,12H2,1H3,(H,20,21)
InChIKeySJLDRZNRVXGYOU-UHFFFAOYSA-N
XLogP2.30
TPSA66.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.40
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-{1-[(1s)-3-(Dimethylamino)-1-Phenylpropyl]-1h-Pyrazol-4-Yl}-6-(1h-Pyrazol-4-Yl)-1h-Indazole-3-Carboxamide
CID 71259491
N-{1-[(1r)-3-(Dimethylamino)-1-Phenylpropyl]-1h-Pyrazol-4-Yl}-6-(1h-Pyrazol-4-Yl)-1h-Indazole-3-Carboxamide
CID 71259555
N-[1-[(1S)-1-phenylpropyl]pyrazol-4-yl]-6-(1H-pyrazol-4-yl)-1H-indazole-3-carboxamide
CID 71259641
Maleimide derivative, 4
CID 22592015
N-Isopropyl-N-(2-methyl-2H-pyrazol-3-ylmethyl)-2-(2-phenyl-1H-indol-3-yl)-acetamide
CID 10156985
N-Isopropyl-N-(1-methyl-1H-pyrazol-3-ylmethyl)-2-(2-phenyl-1H-indol-3-yl)-acetamide
CID 10221771
N-Isopropyl-N-(1-methyl-1H-pyrazol-4-ylmethyl)-2-(2-phenyl-1H-indol-3-yl)-acetamide
CID 10271497
N-(1-(3-((dimethylamino)methyl)benzyl)-1H-pyrazol-4-yl)-1H-indazole-3-carboxamide
CID 71259557
N-(1-benzylpyrazol-4-yl)-1H-indazole-3-carboxamide
CID 71259797
N-[1-(2-phenylpropan-2-yl)pyrazol-4-yl]-1H-indazole-3-carboxamide
CID 71267246
(S)-N-(1-(1-phenylpropyl)-1H-pyrazol-4-yl)-1H-indazole-3-carboxamide
CID 71267305
(R)-N-(1-(1-phenylpropyl)-1H-pyrazol-4-yl)-1H-indazole-3-carboxamide
CID 90656739

Frequently Asked Questions

What is the IUPAC name of 2-(2H-indazol-3-yl)-1-[2-[(4-methylpyrazol-1-yl)methyl]pyrrolidin-1-yl]ethanone?
The IUPAC name of 2-(2H-indazol-3-yl)-1-[2-[(4-methylpyrazol-1-yl)methyl]pyrrolidin-1-yl]ethanone (CID 56779434) is 2-(2H-indazol-3-yl)-1-[2-[(4-methylpyrazol-1-yl)methyl]pyrrolidin-1-yl]ethanone.
What is the SMILES notation for 2-(2H-indazol-3-yl)-1-[2-[(4-methylpyrazol-1-yl)methyl]pyrrolidin-1-yl]ethanone?
The canonical SMILES for 2-(2H-indazol-3-yl)-1-[2-[(4-methylpyrazol-1-yl)methyl]pyrrolidin-1-yl]ethanone is Cc1cnn(CC2CCCN2C(=O)Cc2[nH]nc3ccccc23)c1.
What is the InChIKey of 2-(2H-indazol-3-yl)-1-[2-[(4-methylpyrazol-1-yl)methyl]pyrrolidin-1-yl]ethanone?
The InChIKey is SJLDRZNRVXGYOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N5O/c1-13-10-19-22(11-13)12-14-5-4-8-23(14)18(24)9-17-15-6-2-3-7-16(15)20-21-17/h2-3,6-7,10-11,14H,4-5,8-9,12H2,1H3,(H,20,21).
What are the key properties of 2-(2H-indazol-3-yl)-1-[2-[(4-methylpyrazol-1-yl)methyl]pyrrolidin-1-yl]ethanone?
2-(2H-indazol-3-yl)-1-[2-[(4-methylpyrazol-1-yl)methyl]pyrrolidin-1-yl]ethanone has a molecular weight of 323.40 g/mol, XLogP of 2.30, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2H-indazol-3-yl)-1-[2-[(4-methylpyrazol-1-yl)methyl]pyrrolidin-1-yl]ethanone is sourced from PubChem (CID 56779434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).