2-[[4-(3-pyrrolidin-1-ylpropyl)-1,4-diazepan-1-yl]methyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine

C19H34N6 — CID 56889666

IUPAC2-[[4-(3-pyrrolidin-1-ylpropyl)-1,4-diazepan-1-yl]methyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine
SMILESc1c(CN2CCCN(CCCN3CCCC3)CC2)nn2c1CNCC2
InChIInChI=1S/C19H34N6/c1-2-7-22(6-1)8-3-9-23-10-4-11-24(14-13-23)17-18-15-19-16-20-5-12-25(19)21-18/h15,20H,1-14,16-17H2
InChIKeyPCYCRPJMLRUEAR-UHFFFAOYSA-N
MW346.52 g/mol
LogP0.98
Rot. Bonds6

About 2-[[4-(3-pyrrolidin-1-ylpropyl)-1,4-diazepan-1-yl]methyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine

2-[[4-(3-pyrrolidin-1-ylpropyl)-1,4-diazepan-1-yl]methyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine (PubChem CID 56889666) has the molecular formula C19H34N6 and a molecular weight of 346.52 g/mol. Its IUPAC name is 2-[[4-(3-pyrrolidin-1-ylpropyl)-1,4-diazepan-1-yl]methyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine.

Molecular Properties

Compound Name2-[[4-(3-pyrrolidin-1-ylpropyl)-1,4-diazepan-1-yl]methyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine
PubChem CID56889666
Molecular FormulaC19H34N6
Molecular Weight346.52 g/mol
Exact Mass346.28
IUPAC Name2-[[4-(3-pyrrolidin-1-ylpropyl)-1,4-diazepan-1-yl]methyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine
SMILESc1c(CN2CCCN(CCCN3CCCC3)CC2)nn2c1CNCC2
InChIInChI=1S/C19H34N6/c1-2-7-22(6-1)8-3-9-23-10-4-11-24(14-13-23)17-18-15-19-16-20-5-12-25(19)21-18/h15,20H,1-14,16-17H2
InChIKeyPCYCRPJMLRUEAR-UHFFFAOYSA-N
XLogP0.98
TPSA39.57 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.52
LogP ≤ 50.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[[4-(3-pyrrolidin-1-ylpropyl)-1,4-diazepan-1-yl]methyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine?
The IUPAC name of 2-[[4-(3-pyrrolidin-1-ylpropyl)-1,4-diazepan-1-yl]methyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine (CID 56889666) is 2-[[4-(3-pyrrolidin-1-ylpropyl)-1,4-diazepan-1-yl]methyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine.
What is the SMILES notation for 2-[[4-(3-pyrrolidin-1-ylpropyl)-1,4-diazepan-1-yl]methyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine?
The canonical SMILES for 2-[[4-(3-pyrrolidin-1-ylpropyl)-1,4-diazepan-1-yl]methyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine is c1c(CN2CCCN(CCCN3CCCC3)CC2)nn2c1CNCC2.
What is the InChIKey of 2-[[4-(3-pyrrolidin-1-ylpropyl)-1,4-diazepan-1-yl]methyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine?
The InChIKey is PCYCRPJMLRUEAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H34N6/c1-2-7-22(6-1)8-3-9-23-10-4-11-24(14-13-23)17-18-15-19-16-20-5-12-25(19)21-18/h15,20H,1-14,16-17H2.
What are the key properties of 2-[[4-(3-pyrrolidin-1-ylpropyl)-1,4-diazepan-1-yl]methyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine?
2-[[4-(3-pyrrolidin-1-ylpropyl)-1,4-diazepan-1-yl]methyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine has a molecular weight of 346.52 g/mol, XLogP of 0.98, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-(3-pyrrolidin-1-ylpropyl)-1,4-diazepan-1-yl]methyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine is sourced from PubChem (CID 56889666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).