1H-indazol-4-yl-[(2R)-2-(5-methoxy-1,3-dimethylpyrazol-4-yl)pyrrolidin-1-yl]methanone

C18H21N5O2 — CID 95736031

IUPAC1H-indazol-4-yl-[(2R)-2-(5-methoxy-1,3-dimethylpyrazol-4-yl)pyrrolidin-1-yl]methanone
SMILESCOc1c([C@H]2CCCN2C(=O)c2cccc3[nH]ncc23)c(C)nn1C
InChIInChI=1S/C18H21N5O2/c1-11-16(18(25-3)22(2)21-11)15-8-5-9-23(15)17(24)12-6-4-7-14-13(12)10-19-20-14/h4,6-7,10,15H,5,8-9H2,1-3H3,(H,19,20)/t15-/m1/s1
InChIKeyIMUWHKGXJSNWMX-OAHLLOKOSA-N
MW339.40 g/mol
LogP2.59
Rot. Bonds3

About 1H-indazol-4-yl-[(2R)-2-(5-methoxy-1,3-dimethylpyrazol-4-yl)pyrrolidin-1-yl]methanone

1H-indazol-4-yl-[(2R)-2-(5-methoxy-1,3-dimethylpyrazol-4-yl)pyrrolidin-1-yl]methanone (PubChem CID 95736031) has the molecular formula C18H21N5O2 and a molecular weight of 339.40 g/mol. Its IUPAC name is 1H-indazol-4-yl-[(2R)-2-(5-methoxy-1,3-dimethylpyrazol-4-yl)pyrrolidin-1-yl]methanone.

Molecular Properties

Compound Name1H-indazol-4-yl-[(2R)-2-(5-methoxy-1,3-dimethylpyrazol-4-yl)pyrrolidin-1-yl]methanone
PubChem CID95736031
Molecular FormulaC18H21N5O2
Molecular Weight339.40 g/mol
Exact Mass339.17
IUPAC Name1H-indazol-4-yl-[(2R)-2-(5-methoxy-1,3-dimethylpyrazol-4-yl)pyrrolidin-1-yl]methanone
SMILESCOc1c([C@H]2CCCN2C(=O)c2cccc3[nH]ncc23)c(C)nn1C
InChIInChI=1S/C18H21N5O2/c1-11-16(18(25-3)22(2)21-11)15-8-5-9-23(15)17(24)12-6-4-7-14-13(12)10-19-20-14/h4,6-7,10,15H,5,8-9H2,1-3H3,(H,19,20)/t15-/m1/s1
InChIKeyIMUWHKGXJSNWMX-OAHLLOKOSA-N
XLogP2.59
TPSA76.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.40
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[(2R)-2-(5-methoxy-1,3-dimethylpyrazol-4-yl)pyrrolidin-1-yl]-(4-methylpyrimidin-5-yl)methanone
CID 95736074
1H-indazol-4-yl-[(2S)-2-[(2R)-1-methylpyrrolidin-2-yl]pyrrolidin-1-yl]methanone
CID 95736162
[(2S)-2-(5-methoxy-1,3-dimethylpyrazol-4-yl)pyrrolidin-1-yl]-[(2R)-oxolan-2-yl]methanone
CID 95735934
(2-cyclopropyl-1,3-thiazol-5-yl)-[(2S)-2-(5-methoxy-1,3-dimethylpyrazol-4-yl)pyrrolidin-1-yl]methanone
CID 95736144
[6-(dimethylamino)pyridazin-3-yl]-[(2S)-2-(5-methoxy-1,3-dimethylpyrazol-4-yl)pyrrolidin-1-yl]methanone
CID 95750435
(3-cyclopropylthiophen-2-yl)-[(2R)-2-(5-methoxy-1,3-dimethylpyrazol-4-yl)pyrrolidin-1-yl]methanone
CID 95736113
1-[(2R)-2-(5-methoxy-1,3-dimethylpyrazol-4-yl)pyrrolidin-1-yl]-2-(6-methyl-3-pyridinyl)ethanone
CID 95736080
(4-chloro-1-methylpyrrol-2-yl)-[(2R)-2-(5-methoxy-1,3-dimethylpyrazol-4-yl)pyrrolidin-1-yl]methanone
CID 97001743
1,4-diazabicyclo[3.2.2]nonan-4-yl(1H-indazol-4-yl)methanone
CID 11514570
1-[(2S)-2-(5-methoxy-1,3-dimethylpyrazol-4-yl)pyrrolidin-1-yl]-2-(5-methylthiophen-2-yl)ethanone
CID 95736099
1-[(2R)-2-(5-methoxy-1,3-dimethylpyrazol-4-yl)pyrrolidin-1-yl]-2-pyridin-3-yloxyethanone
CID 95750442
[(2S)-2-(5-methoxy-1,3-dimethylpyrazol-4-yl)pyrrolidin-1-yl]-[(1R,2R)-2-pyridin-3-ylcyclopropyl]methanone
CID 129461477

Frequently Asked Questions

What is the IUPAC name of 1H-indazol-4-yl-[(2R)-2-(5-methoxy-1,3-dimethylpyrazol-4-yl)pyrrolidin-1-yl]methanone?
The IUPAC name of 1H-indazol-4-yl-[(2R)-2-(5-methoxy-1,3-dimethylpyrazol-4-yl)pyrrolidin-1-yl]methanone (CID 95736031) is 1H-indazol-4-yl-[(2R)-2-(5-methoxy-1,3-dimethylpyrazol-4-yl)pyrrolidin-1-yl]methanone.
What is the SMILES notation for 1H-indazol-4-yl-[(2R)-2-(5-methoxy-1,3-dimethylpyrazol-4-yl)pyrrolidin-1-yl]methanone?
The canonical SMILES for 1H-indazol-4-yl-[(2R)-2-(5-methoxy-1,3-dimethylpyrazol-4-yl)pyrrolidin-1-yl]methanone is COc1c([C@H]2CCCN2C(=O)c2cccc3[nH]ncc23)c(C)nn1C.
What is the InChIKey of 1H-indazol-4-yl-[(2R)-2-(5-methoxy-1,3-dimethylpyrazol-4-yl)pyrrolidin-1-yl]methanone?
The InChIKey is IMUWHKGXJSNWMX-OAHLLOKOSA-N. The full InChI is InChI=1S/C18H21N5O2/c1-11-16(18(25-3)22(2)21-11)15-8-5-9-23(15)17(24)12-6-4-7-14-13(12)10-19-20-14/h4,6-7,10,15H,5,8-9H2,1-3H3,(H,19,20)/t15-/m1/s1.
What are the key properties of 1H-indazol-4-yl-[(2R)-2-(5-methoxy-1,3-dimethylpyrazol-4-yl)pyrrolidin-1-yl]methanone?
1H-indazol-4-yl-[(2R)-2-(5-methoxy-1,3-dimethylpyrazol-4-yl)pyrrolidin-1-yl]methanone has a molecular weight of 339.40 g/mol, XLogP of 2.59, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1H-indazol-4-yl-[(2R)-2-(5-methoxy-1,3-dimethylpyrazol-4-yl)pyrrolidin-1-yl]methanone is sourced from PubChem (CID 95736031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).