1-ethyl-3-[[2-(2-methylpropyl)pyrrolidin-2-yl]methyl]indazole

C18H27N3 — CID 66466531

IUPAC1-ethyl-3-[[2-(2-methylpropyl)pyrrolidin-2-yl]methyl]indazole
SMILESCCn1nc(CC2(CC(C)C)CCCN2)c2ccccc21
InChIInChI=1S/C18H27N3/c1-4-21-17-9-6-5-8-15(17)16(20-21)13-18(12-14(2)3)10-7-11-19-18/h5-6,8-9,14,19H,4,7,10-13H2,1-3H3
InChIKeyDQTPHPCAAUAKDW-UHFFFAOYSA-N
MW285.44 g/mol
LogP3.77
Rot. Bonds5

About 1-ethyl-3-[[2-(2-methylpropyl)pyrrolidin-2-yl]methyl]indazole

1-ethyl-3-[[2-(2-methylpropyl)pyrrolidin-2-yl]methyl]indazole (PubChem CID 66466531) has the molecular formula C18H27N3 and a molecular weight of 285.44 g/mol. Its IUPAC name is 1-ethyl-3-[[2-(2-methylpropyl)pyrrolidin-2-yl]methyl]indazole.

Molecular Properties

Compound Name1-ethyl-3-[[2-(2-methylpropyl)pyrrolidin-2-yl]methyl]indazole
PubChem CID66466531
Molecular FormulaC18H27N3
Molecular Weight285.44 g/mol
Exact Mass285.22
IUPAC Name1-ethyl-3-[[2-(2-methylpropyl)pyrrolidin-2-yl]methyl]indazole
SMILESCCn1nc(CC2(CC(C)C)CCCN2)c2ccccc21
InChIInChI=1S/C18H27N3/c1-4-21-17-9-6-5-8-15(17)16(20-21)13-18(12-14(2)3)10-7-11-19-18/h5-6,8-9,14,19H,4,7,10-13H2,1-3H3
InChIKeyDQTPHPCAAUAKDW-UHFFFAOYSA-N
XLogP3.77
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.44
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-3-[[2-(2-methylpropyl)pyrrolidin-2-yl]methyl]indazole?
The IUPAC name of 1-ethyl-3-[[2-(2-methylpropyl)pyrrolidin-2-yl]methyl]indazole (CID 66466531) is 1-ethyl-3-[[2-(2-methylpropyl)pyrrolidin-2-yl]methyl]indazole.
What is the SMILES notation for 1-ethyl-3-[[2-(2-methylpropyl)pyrrolidin-2-yl]methyl]indazole?
The canonical SMILES for 1-ethyl-3-[[2-(2-methylpropyl)pyrrolidin-2-yl]methyl]indazole is CCn1nc(CC2(CC(C)C)CCCN2)c2ccccc21.
What is the InChIKey of 1-ethyl-3-[[2-(2-methylpropyl)pyrrolidin-2-yl]methyl]indazole?
The InChIKey is DQTPHPCAAUAKDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N3/c1-4-21-17-9-6-5-8-15(17)16(20-21)13-18(12-14(2)3)10-7-11-19-18/h5-6,8-9,14,19H,4,7,10-13H2,1-3H3.
What are the key properties of 1-ethyl-3-[[2-(2-methylpropyl)pyrrolidin-2-yl]methyl]indazole?
1-ethyl-3-[[2-(2-methylpropyl)pyrrolidin-2-yl]methyl]indazole has a molecular weight of 285.44 g/mol, XLogP of 3.77, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-3-[[2-(2-methylpropyl)pyrrolidin-2-yl]methyl]indazole is sourced from PubChem (CID 66466531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).