N-[[5-(furan-2-ylmethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methyl]-N-methyl-2-(4-methyl-1,3-thiazol-5-yl)ethanamine

C19H25N5OS — CID 56902259

IUPACN-[[5-(furan-2-ylmethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methyl]-N-methyl-2-(4-methyl-1,3-thiazol-5-yl)ethanamine
SMILESCc1ncsc1CCN(C)Cc1cc2n(n1)CCN(Cc1ccco1)C2
InChIInChI=1S/C19H25N5OS/c1-15-19(26-14-20-15)5-6-22(2)11-16-10-17-12-23(7-8-24(17)21-16)13-18-4-3-9-25-18/h3-4,9-10,14H,5-8,11-13H2,1-2H3
InChIKeyHLDRNQWYONUYMN-UHFFFAOYSA-N
MW371.51 g/mol
LogP2.93
Rot. Bonds7

About N-[[5-(furan-2-ylmethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methyl]-N-methyl-2-(4-methyl-1,3-thiazol-5-yl)ethanamine

N-[[5-(furan-2-ylmethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methyl]-N-methyl-2-(4-methyl-1,3-thiazol-5-yl)ethanamine (PubChem CID 56902259) has the molecular formula C19H25N5OS and a molecular weight of 371.51 g/mol. Its IUPAC name is N-[[5-(furan-2-ylmethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methyl]-N-methyl-2-(4-methyl-1,3-thiazol-5-yl)ethanamine.

Molecular Properties

Compound NameN-[[5-(furan-2-ylmethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methyl]-N-methyl-2-(4-methyl-1,3-thiazol-5-yl)ethanamine
PubChem CID56902259
Molecular FormulaC19H25N5OS
Molecular Weight371.51 g/mol
Exact Mass371.18
IUPAC NameN-[[5-(furan-2-ylmethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methyl]-N-methyl-2-(4-methyl-1,3-thiazol-5-yl)ethanamine
SMILESCc1ncsc1CCN(C)Cc1cc2n(n1)CCN(Cc1ccco1)C2
InChIInChI=1S/C19H25N5OS/c1-15-19(26-14-20-15)5-6-22(2)11-16-10-17-12-23(7-8-24(17)21-16)13-18-4-3-9-25-18/h3-4,9-10,14H,5-8,11-13H2,1-2H3
InChIKeyHLDRNQWYONUYMN-UHFFFAOYSA-N
XLogP2.93
TPSA50.33 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.51
LogP ≤ 52.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze N-[[5-(furan-2-ylmethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methyl]-N-methyl-2-(4-methyl-1,3-thiazol-5-yl)ethanamine with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[[5-(furan-2-ylmethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methyl]-N-methyl-2-(4-methyl-1,3-thiazol-5-yl)ethanamine?
The IUPAC name of N-[[5-(furan-2-ylmethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methyl]-N-methyl-2-(4-methyl-1,3-thiazol-5-yl)ethanamine (CID 56902259) is N-[[5-(furan-2-ylmethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methyl]-N-methyl-2-(4-methyl-1,3-thiazol-5-yl)ethanamine.
What is the SMILES notation for N-[[5-(furan-2-ylmethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methyl]-N-methyl-2-(4-methyl-1,3-thiazol-5-yl)ethanamine?
The canonical SMILES for N-[[5-(furan-2-ylmethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methyl]-N-methyl-2-(4-methyl-1,3-thiazol-5-yl)ethanamine is Cc1ncsc1CCN(C)Cc1cc2n(n1)CCN(Cc1ccco1)C2.
What is the InChIKey of N-[[5-(furan-2-ylmethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methyl]-N-methyl-2-(4-methyl-1,3-thiazol-5-yl)ethanamine?
The InChIKey is HLDRNQWYONUYMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N5OS/c1-15-19(26-14-20-15)5-6-22(2)11-16-10-17-12-23(7-8-24(17)21-16)13-18-4-3-9-25-18/h3-4,9-10,14H,5-8,11-13H2,1-2H3.
What are the key properties of N-[[5-(furan-2-ylmethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methyl]-N-methyl-2-(4-methyl-1,3-thiazol-5-yl)ethanamine?
N-[[5-(furan-2-ylmethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methyl]-N-methyl-2-(4-methyl-1,3-thiazol-5-yl)ethanamine has a molecular weight of 371.51 g/mol, XLogP of 2.93, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(furan-2-ylmethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methyl]-N-methyl-2-(4-methyl-1,3-thiazol-5-yl)ethanamine is sourced from PubChem (CID 56902259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).