1,3-dimethyl-4-[[2-[5-(1H-pyrazol-5-yl)thiophen-2-yl]imidazol-1-yl]methyl]pyrazole

C16H16N6S — CID 56751160

IUPAC1,3-dimethyl-4-[[2-[5-(1H-pyrazol-5-yl)thiophen-2-yl]imidazol-1-yl]methyl]pyrazole
SMILESCc1nn(C)cc1Cn1ccnc1-c1ccc(-c2ccn[nH]2)s1
InChIInChI=1S/C16H16N6S/c1-11-12(9-21(2)20-11)10-22-8-7-17-16(22)15-4-3-14(23-15)13-5-6-18-19-13/h3-9H,10H2,1-2H3,(H,18,19)
InChIKeyHOXXHASUKRTECY-UHFFFAOYSA-N
MW324.41 g/mol
LogP3.09
Rot. Bonds4

About 1,3-dimethyl-4-[[2-[5-(1H-pyrazol-5-yl)thiophen-2-yl]imidazol-1-yl]methyl]pyrazole

1,3-dimethyl-4-[[2-[5-(1H-pyrazol-5-yl)thiophen-2-yl]imidazol-1-yl]methyl]pyrazole (PubChem CID 56751160) has the molecular formula C16H16N6S and a molecular weight of 324.41 g/mol. Its IUPAC name is 1,3-dimethyl-4-[[2-[5-(1H-pyrazol-5-yl)thiophen-2-yl]imidazol-1-yl]methyl]pyrazole.

Molecular Properties

Compound Name1,3-dimethyl-4-[[2-[5-(1H-pyrazol-5-yl)thiophen-2-yl]imidazol-1-yl]methyl]pyrazole
PubChem CID56751160
Molecular FormulaC16H16N6S
Molecular Weight324.41 g/mol
Exact Mass324.12
IUPAC Name1,3-dimethyl-4-[[2-[5-(1H-pyrazol-5-yl)thiophen-2-yl]imidazol-1-yl]methyl]pyrazole
SMILESCc1nn(C)cc1Cn1ccnc1-c1ccc(-c2ccn[nH]2)s1
InChIInChI=1S/C16H16N6S/c1-11-12(9-21(2)20-11)10-22-8-7-17-16(22)15-4-3-14(23-15)13-5-6-18-19-13/h3-9H,10H2,1-2H3,(H,18,19)
InChIKeyHOXXHASUKRTECY-UHFFFAOYSA-N
XLogP3.09
TPSA64.32 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.41
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1,3-dimethyl-4-[[2-[5-(1H-pyrazol-5-yl)thiophen-2-yl]imidazol-1-yl]methyl]pyrazole?
The IUPAC name of 1,3-dimethyl-4-[[2-[5-(1H-pyrazol-5-yl)thiophen-2-yl]imidazol-1-yl]methyl]pyrazole (CID 56751160) is 1,3-dimethyl-4-[[2-[5-(1H-pyrazol-5-yl)thiophen-2-yl]imidazol-1-yl]methyl]pyrazole.
What is the SMILES notation for 1,3-dimethyl-4-[[2-[5-(1H-pyrazol-5-yl)thiophen-2-yl]imidazol-1-yl]methyl]pyrazole?
The canonical SMILES for 1,3-dimethyl-4-[[2-[5-(1H-pyrazol-5-yl)thiophen-2-yl]imidazol-1-yl]methyl]pyrazole is Cc1nn(C)cc1Cn1ccnc1-c1ccc(-c2ccn[nH]2)s1.
What is the InChIKey of 1,3-dimethyl-4-[[2-[5-(1H-pyrazol-5-yl)thiophen-2-yl]imidazol-1-yl]methyl]pyrazole?
The InChIKey is HOXXHASUKRTECY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N6S/c1-11-12(9-21(2)20-11)10-22-8-7-17-16(22)15-4-3-14(23-15)13-5-6-18-19-13/h3-9H,10H2,1-2H3,(H,18,19).
What are the key properties of 1,3-dimethyl-4-[[2-[5-(1H-pyrazol-5-yl)thiophen-2-yl]imidazol-1-yl]methyl]pyrazole?
1,3-dimethyl-4-[[2-[5-(1H-pyrazol-5-yl)thiophen-2-yl]imidazol-1-yl]methyl]pyrazole has a molecular weight of 324.41 g/mol, XLogP of 3.09, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dimethyl-4-[[2-[5-(1H-pyrazol-5-yl)thiophen-2-yl]imidazol-1-yl]methyl]pyrazole is sourced from PubChem (CID 56751160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).