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

C18H21N5O — CID 56779535

IUPAC[2-[(3,5-dimethylpyrazol-1-yl)methyl]pyrrolidin-1-yl]-(1H-indazol-4-yl)methanone
SMILESCc1cc(C)n(CC2CCCN2C(=O)c2cccc3[nH]ncc23)n1
InChIInChI=1S/C18H21N5O/c1-12-9-13(2)23(21-12)11-14-5-4-8-22(14)18(24)15-6-3-7-17-16(15)10-19-20-17/h3,6-7,9-10,14H,4-5,8,11H2,1-2H3,(H,19,20)
InChIKeySRJVXUBUOHRTKM-UHFFFAOYSA-N
MW323.40 g/mol
LogP2.68
Rot. Bonds3

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

[2-[(3,5-dimethylpyrazol-1-yl)methyl]pyrrolidin-1-yl]-(1H-indazol-4-yl)methanone (PubChem CID 56779535) has the molecular formula C18H21N5O and a molecular weight of 323.40 g/mol. Its IUPAC name is [2-[(3,5-dimethylpyrazol-1-yl)methyl]pyrrolidin-1-yl]-(1H-indazol-4-yl)methanone.

Molecular Properties

Compound Name[2-[(3,5-dimethylpyrazol-1-yl)methyl]pyrrolidin-1-yl]-(1H-indazol-4-yl)methanone
PubChem CID56779535
Molecular FormulaC18H21N5O
Molecular Weight323.40 g/mol
Exact Mass323.17
IUPAC Name[2-[(3,5-dimethylpyrazol-1-yl)methyl]pyrrolidin-1-yl]-(1H-indazol-4-yl)methanone
SMILESCc1cc(C)n(CC2CCCN2C(=O)c2cccc3[nH]ncc23)n1
InChIInChI=1S/C18H21N5O/c1-12-9-13(2)23(21-12)11-14-5-4-8-22(14)18(24)15-6-3-7-17-16(15)10-19-20-17/h3,6-7,9-10,14H,4-5,8,11H2,1-2H3,(H,19,20)
InChIKeySRJVXUBUOHRTKM-UHFFFAOYSA-N
XLogP2.68
TPSA66.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.40
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [2-[(3,5-dimethylpyrazol-1-yl)methyl]pyrrolidin-1-yl]-(1H-indazol-4-yl)methanone?
The IUPAC name of [2-[(3,5-dimethylpyrazol-1-yl)methyl]pyrrolidin-1-yl]-(1H-indazol-4-yl)methanone (CID 56779535) is [2-[(3,5-dimethylpyrazol-1-yl)methyl]pyrrolidin-1-yl]-(1H-indazol-4-yl)methanone.
What is the SMILES notation for [2-[(3,5-dimethylpyrazol-1-yl)methyl]pyrrolidin-1-yl]-(1H-indazol-4-yl)methanone?
The canonical SMILES for [2-[(3,5-dimethylpyrazol-1-yl)methyl]pyrrolidin-1-yl]-(1H-indazol-4-yl)methanone is Cc1cc(C)n(CC2CCCN2C(=O)c2cccc3[nH]ncc23)n1.
What is the InChIKey of [2-[(3,5-dimethylpyrazol-1-yl)methyl]pyrrolidin-1-yl]-(1H-indazol-4-yl)methanone?
The InChIKey is SRJVXUBUOHRTKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N5O/c1-12-9-13(2)23(21-12)11-14-5-4-8-22(14)18(24)15-6-3-7-17-16(15)10-19-20-17/h3,6-7,9-10,14H,4-5,8,11H2,1-2H3,(H,19,20).
What are the key properties of [2-[(3,5-dimethylpyrazol-1-yl)methyl]pyrrolidin-1-yl]-(1H-indazol-4-yl)methanone?
[2-[(3,5-dimethylpyrazol-1-yl)methyl]pyrrolidin-1-yl]-(1H-indazol-4-yl)methanone has a molecular weight of 323.40 g/mol, XLogP of 2.68, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(3,5-dimethylpyrazol-1-yl)methyl]pyrrolidin-1-yl]-(1H-indazol-4-yl)methanone is sourced from PubChem (CID 56779535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).