N,N-dimethyl-1-[5-(1-phenyl-4H-imidazo[4,5-d]pyrazol-5-yl)thiophen-3-yl]methanamine

C17H17N5S — CID 135884239

IUPACN,N-dimethyl-1-[5-(1-phenyl-4H-imidazo[4,5-d]pyrazol-5-yl)thiophen-3-yl]methanamine
SMILESCN(C)Cc1csc(-c2nc3c(cnn3-c3ccccc3)[nH]2)c1
InChIInChI=1S/C17H17N5S/c1-21(2)10-12-8-15(23-11-12)16-19-14-9-18-22(17(14)20-16)13-6-4-3-5-7-13/h3-9,11H,10H2,1-2H3,(H,19,20)
InChIKeyWINBGIOOEAALMY-UHFFFAOYSA-N
MW323.43 g/mol
LogP3.54
Rot. Bonds4

About N,N-dimethyl-1-[5-(1-phenyl-4H-imidazo[4,5-d]pyrazol-5-yl)thiophen-3-yl]methanamine

N,N-dimethyl-1-[5-(1-phenyl-4H-imidazo[4,5-d]pyrazol-5-yl)thiophen-3-yl]methanamine (PubChem CID 135884239) has the molecular formula C17H17N5S and a molecular weight of 323.43 g/mol. Its IUPAC name is N,N-dimethyl-1-[5-(1-phenyl-4H-imidazo[4,5-d]pyrazol-5-yl)thiophen-3-yl]methanamine.

Molecular Properties

Compound NameN,N-dimethyl-1-[5-(1-phenyl-4H-imidazo[4,5-d]pyrazol-5-yl)thiophen-3-yl]methanamine
PubChem CID135884239
Molecular FormulaC17H17N5S
Molecular Weight323.43 g/mol
Exact Mass323.12
IUPAC NameN,N-dimethyl-1-[5-(1-phenyl-4H-imidazo[4,5-d]pyrazol-5-yl)thiophen-3-yl]methanamine
SMILESCN(C)Cc1csc(-c2nc3c(cnn3-c3ccccc3)[nH]2)c1
InChIInChI=1S/C17H17N5S/c1-21(2)10-12-8-15(23-11-12)16-19-14-9-18-22(17(14)20-16)13-6-4-3-5-7-13/h3-9,11H,10H2,1-2H3,(H,19,20)
InChIKeyWINBGIOOEAALMY-UHFFFAOYSA-N
XLogP3.54
TPSA49.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.43
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-1-[5-(1-phenyl-4H-imidazo[4,5-d]pyrazol-5-yl)thiophen-3-yl]methanamine?
The IUPAC name of N,N-dimethyl-1-[5-(1-phenyl-4H-imidazo[4,5-d]pyrazol-5-yl)thiophen-3-yl]methanamine (CID 135884239) is N,N-dimethyl-1-[5-(1-phenyl-4H-imidazo[4,5-d]pyrazol-5-yl)thiophen-3-yl]methanamine.
What is the SMILES notation for N,N-dimethyl-1-[5-(1-phenyl-4H-imidazo[4,5-d]pyrazol-5-yl)thiophen-3-yl]methanamine?
The canonical SMILES for N,N-dimethyl-1-[5-(1-phenyl-4H-imidazo[4,5-d]pyrazol-5-yl)thiophen-3-yl]methanamine is CN(C)Cc1csc(-c2nc3c(cnn3-c3ccccc3)[nH]2)c1.
What is the InChIKey of N,N-dimethyl-1-[5-(1-phenyl-4H-imidazo[4,5-d]pyrazol-5-yl)thiophen-3-yl]methanamine?
The InChIKey is WINBGIOOEAALMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N5S/c1-21(2)10-12-8-15(23-11-12)16-19-14-9-18-22(17(14)20-16)13-6-4-3-5-7-13/h3-9,11H,10H2,1-2H3,(H,19,20).
What are the key properties of N,N-dimethyl-1-[5-(1-phenyl-4H-imidazo[4,5-d]pyrazol-5-yl)thiophen-3-yl]methanamine?
N,N-dimethyl-1-[5-(1-phenyl-4H-imidazo[4,5-d]pyrazol-5-yl)thiophen-3-yl]methanamine has a molecular weight of 323.43 g/mol, XLogP of 3.54, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-1-[5-(1-phenyl-4H-imidazo[4,5-d]pyrazol-5-yl)thiophen-3-yl]methanamine is sourced from PubChem (CID 135884239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).