(3-methyl-1-propylpyrazol-4-yl)-spiro[indene-1,4'-piperidine]-1'-ylmethanone

C21H25N3O — CID 72903177

IUPAC(3-methyl-1-propylpyrazol-4-yl)-spiro[indene-1,4'-piperidine]-1'-ylmethanone
SMILESCCCn1cc(C(=O)N2CCC3(C=Cc4ccccc43)CC2)c(C)n1
InChIInChI=1S/C21H25N3O/c1-3-12-24-15-18(16(2)22-24)20(25)23-13-10-21(11-14-23)9-8-17-6-4-5-7-19(17)21/h4-9,15H,3,10-14H2,1-2H3
InChIKeyDOHFTLQNAKZISM-UHFFFAOYSA-N
MW335.45 g/mol
LogP3.80
Rot. Bonds3

About (3-methyl-1-propylpyrazol-4-yl)-spiro[indene-1,4'-piperidine]-1'-ylmethanone

(3-methyl-1-propylpyrazol-4-yl)-spiro[indene-1,4'-piperidine]-1'-ylmethanone (PubChem CID 72903177) has the molecular formula C21H25N3O and a molecular weight of 335.45 g/mol. Its IUPAC name is (3-methyl-1-propylpyrazol-4-yl)-spiro[indene-1,4'-piperidine]-1'-ylmethanone.

Molecular Properties

Compound Name(3-methyl-1-propylpyrazol-4-yl)-spiro[indene-1,4'-piperidine]-1'-ylmethanone
PubChem CID72903177
Molecular FormulaC21H25N3O
Molecular Weight335.45 g/mol
Exact Mass335.20
IUPAC Name(3-methyl-1-propylpyrazol-4-yl)-spiro[indene-1,4'-piperidine]-1'-ylmethanone
SMILESCCCn1cc(C(=O)N2CCC3(C=Cc4ccccc43)CC2)c(C)n1
InChIInChI=1S/C21H25N3O/c1-3-12-24-15-18(16(2)22-24)20(25)23-13-10-21(11-14-23)9-8-17-6-4-5-7-19(17)21/h4-9,15H,3,10-14H2,1-2H3
InChIKeyDOHFTLQNAKZISM-UHFFFAOYSA-N
XLogP3.80
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.45
LogP ≤ 53.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3-methyl-1-propylpyrazol-4-yl)-spiro[indene-1,4'-piperidine]-1'-ylmethanone?
The IUPAC name of (3-methyl-1-propylpyrazol-4-yl)-spiro[indene-1,4'-piperidine]-1'-ylmethanone (CID 72903177) is (3-methyl-1-propylpyrazol-4-yl)-spiro[indene-1,4'-piperidine]-1'-ylmethanone.
What is the SMILES notation for (3-methyl-1-propylpyrazol-4-yl)-spiro[indene-1,4'-piperidine]-1'-ylmethanone?
The canonical SMILES for (3-methyl-1-propylpyrazol-4-yl)-spiro[indene-1,4'-piperidine]-1'-ylmethanone is CCCn1cc(C(=O)N2CCC3(C=Cc4ccccc43)CC2)c(C)n1.
What is the InChIKey of (3-methyl-1-propylpyrazol-4-yl)-spiro[indene-1,4'-piperidine]-1'-ylmethanone?
The InChIKey is DOHFTLQNAKZISM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N3O/c1-3-12-24-15-18(16(2)22-24)20(25)23-13-10-21(11-14-23)9-8-17-6-4-5-7-19(17)21/h4-9,15H,3,10-14H2,1-2H3.
What are the key properties of (3-methyl-1-propylpyrazol-4-yl)-spiro[indene-1,4'-piperidine]-1'-ylmethanone?
(3-methyl-1-propylpyrazol-4-yl)-spiro[indene-1,4'-piperidine]-1'-ylmethanone has a molecular weight of 335.45 g/mol, XLogP of 3.80, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-methyl-1-propylpyrazol-4-yl)-spiro[indene-1,4'-piperidine]-1'-ylmethanone is sourced from PubChem (CID 72903177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).