N-[[5-(furan-3-ylmethyl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl]methyl]-N-methyl-1-thiophen-2-ylmethanamine

C19H24N4OS — CID 56904986

IUPACN-[[5-(furan-3-ylmethyl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl]methyl]-N-methyl-1-thiophen-2-ylmethanamine
SMILESCN(Cc1cc2n(n1)CCCN(Cc1ccoc1)C2)Cc1cccs1
InChIInChI=1S/C19H24N4OS/c1-21(14-19-4-2-9-25-19)12-17-10-18-13-22(6-3-7-23(18)20-17)11-16-5-8-24-15-16/h2,4-5,8-10,15H,3,6-7,11-14H2,1H3
InChIKeyMGMDHJVNPOQAQW-UHFFFAOYSA-N
MW356.50 g/mol
LogP3.58
Rot. Bonds6

About N-[[5-(furan-3-ylmethyl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl]methyl]-N-methyl-1-thiophen-2-ylmethanamine

N-[[5-(furan-3-ylmethyl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl]methyl]-N-methyl-1-thiophen-2-ylmethanamine (PubChem CID 56904986) has the molecular formula C19H24N4OS and a molecular weight of 356.50 g/mol. Its IUPAC name is N-[[5-(furan-3-ylmethyl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl]methyl]-N-methyl-1-thiophen-2-ylmethanamine.

Molecular Properties

Compound NameN-[[5-(furan-3-ylmethyl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl]methyl]-N-methyl-1-thiophen-2-ylmethanamine
PubChem CID56904986
Molecular FormulaC19H24N4OS
Molecular Weight356.50 g/mol
Exact Mass356.17
IUPAC NameN-[[5-(furan-3-ylmethyl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl]methyl]-N-methyl-1-thiophen-2-ylmethanamine
SMILESCN(Cc1cc2n(n1)CCCN(Cc1ccoc1)C2)Cc1cccs1
InChIInChI=1S/C19H24N4OS/c1-21(14-19-4-2-9-25-19)12-17-10-18-13-22(6-3-7-23(18)20-17)11-16-5-8-24-15-16/h2,4-5,8-10,15H,3,6-7,11-14H2,1H3
InChIKeyMGMDHJVNPOQAQW-UHFFFAOYSA-N
XLogP3.58
TPSA37.44 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.50
LogP ≤ 53.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze N-[[5-(furan-3-ylmethyl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl]methyl]-N-methyl-1-thiophen-2-ylmethanamine with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[[5-(furan-3-ylmethyl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl]methyl]-N-methyl-1-thiophen-2-ylmethanamine?
The IUPAC name of N-[[5-(furan-3-ylmethyl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl]methyl]-N-methyl-1-thiophen-2-ylmethanamine (CID 56904986) is N-[[5-(furan-3-ylmethyl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl]methyl]-N-methyl-1-thiophen-2-ylmethanamine.
What is the SMILES notation for N-[[5-(furan-3-ylmethyl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl]methyl]-N-methyl-1-thiophen-2-ylmethanamine?
The canonical SMILES for N-[[5-(furan-3-ylmethyl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl]methyl]-N-methyl-1-thiophen-2-ylmethanamine is CN(Cc1cc2n(n1)CCCN(Cc1ccoc1)C2)Cc1cccs1.
What is the InChIKey of N-[[5-(furan-3-ylmethyl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl]methyl]-N-methyl-1-thiophen-2-ylmethanamine?
The InChIKey is MGMDHJVNPOQAQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N4OS/c1-21(14-19-4-2-9-25-19)12-17-10-18-13-22(6-3-7-23(18)20-17)11-16-5-8-24-15-16/h2,4-5,8-10,15H,3,6-7,11-14H2,1H3.
What are the key properties of N-[[5-(furan-3-ylmethyl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl]methyl]-N-methyl-1-thiophen-2-ylmethanamine?
N-[[5-(furan-3-ylmethyl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl]methyl]-N-methyl-1-thiophen-2-ylmethanamine has a molecular weight of 356.50 g/mol, XLogP of 3.58, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(furan-3-ylmethyl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl]methyl]-N-methyl-1-thiophen-2-ylmethanamine is sourced from PubChem (CID 56904986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).