[3-[[4-(1-methylpyrazol-4-yl)phenyl]methyl]-2H-indazol-5-yl]-pyrrolidin-1-ylmethanone

C23H23N5O — CID 118960211

IUPAC[3-[[4-(1-methylpyrazol-4-yl)phenyl]methyl]-2H-indazol-5-yl]-pyrrolidin-1-ylmethanone
SMILESCn1cc(-c2ccc(Cc3[nH]nc4ccc(C(=O)N5CCCC5)cc34)cc2)cn1
InChIInChI=1S/C23H23N5O/c1-27-15-19(14-24-27)17-6-4-16(5-7-17)12-22-20-13-18(8-9-21(20)25-26-22)23(29)28-10-2-3-11-28/h4-9,13-15H,2-3,10-12H2,1H3,(H,25,26)
InChIKeyHAMWSFRMPKMULI-UHFFFAOYSA-N
MW385.47 g/mol
LogP3.79
Rot. Bonds4

About [3-[[4-(1-methylpyrazol-4-yl)phenyl]methyl]-2H-indazol-5-yl]-pyrrolidin-1-ylmethanone

[3-[[4-(1-methylpyrazol-4-yl)phenyl]methyl]-2H-indazol-5-yl]-pyrrolidin-1-ylmethanone (PubChem CID 118960211) has the molecular formula C23H23N5O and a molecular weight of 385.47 g/mol. Its IUPAC name is [3-[[4-(1-methylpyrazol-4-yl)phenyl]methyl]-2H-indazol-5-yl]-pyrrolidin-1-ylmethanone.

Molecular Properties

Compound Name[3-[[4-(1-methylpyrazol-4-yl)phenyl]methyl]-2H-indazol-5-yl]-pyrrolidin-1-ylmethanone
PubChem CID118960211
Molecular FormulaC23H23N5O
Molecular Weight385.47 g/mol
Exact Mass385.19
IUPAC Name[3-[[4-(1-methylpyrazol-4-yl)phenyl]methyl]-2H-indazol-5-yl]-pyrrolidin-1-ylmethanone
SMILESCn1cc(-c2ccc(Cc3[nH]nc4ccc(C(=O)N5CCCC5)cc34)cc2)cn1
InChIInChI=1S/C23H23N5O/c1-27-15-19(14-24-27)17-6-4-16(5-7-17)12-22-20-13-18(8-9-21(20)25-26-22)23(29)28-10-2-3-11-28/h4-9,13-15H,2-3,10-12H2,1H3,(H,25,26)
InChIKeyHAMWSFRMPKMULI-UHFFFAOYSA-N
XLogP3.79
TPSA66.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.47
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [3-[[4-(1-methylpyrazol-4-yl)phenyl]methyl]-2H-indazol-5-yl]-pyrrolidin-1-ylmethanone?
The IUPAC name of [3-[[4-(1-methylpyrazol-4-yl)phenyl]methyl]-2H-indazol-5-yl]-pyrrolidin-1-ylmethanone (CID 118960211) is [3-[[4-(1-methylpyrazol-4-yl)phenyl]methyl]-2H-indazol-5-yl]-pyrrolidin-1-ylmethanone.
What is the SMILES notation for [3-[[4-(1-methylpyrazol-4-yl)phenyl]methyl]-2H-indazol-5-yl]-pyrrolidin-1-ylmethanone?
The canonical SMILES for [3-[[4-(1-methylpyrazol-4-yl)phenyl]methyl]-2H-indazol-5-yl]-pyrrolidin-1-ylmethanone is Cn1cc(-c2ccc(Cc3[nH]nc4ccc(C(=O)N5CCCC5)cc34)cc2)cn1.
What is the InChIKey of [3-[[4-(1-methylpyrazol-4-yl)phenyl]methyl]-2H-indazol-5-yl]-pyrrolidin-1-ylmethanone?
The InChIKey is HAMWSFRMPKMULI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N5O/c1-27-15-19(14-24-27)17-6-4-16(5-7-17)12-22-20-13-18(8-9-21(20)25-26-22)23(29)28-10-2-3-11-28/h4-9,13-15H,2-3,10-12H2,1H3,(H,25,26).
What are the key properties of [3-[[4-(1-methylpyrazol-4-yl)phenyl]methyl]-2H-indazol-5-yl]-pyrrolidin-1-ylmethanone?
[3-[[4-(1-methylpyrazol-4-yl)phenyl]methyl]-2H-indazol-5-yl]-pyrrolidin-1-ylmethanone has a molecular weight of 385.47 g/mol, XLogP of 3.79, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[[4-(1-methylpyrazol-4-yl)phenyl]methyl]-2H-indazol-5-yl]-pyrrolidin-1-ylmethanone is sourced from PubChem (CID 118960211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).