N-[[5-(5-methylfuran-2-yl)-1H-pyrazol-4-yl]methyl]-1-(6-pyrazol-1-yl-3-pyridinyl)methanamine

C18H18N6O — CID 86808570

IUPACN-[[5-(5-methylfuran-2-yl)-1H-pyrazol-4-yl]methyl]-1-(6-pyrazol-1-yl-3-pyridinyl)methanamine
SMILESCc1ccc(-c2[nH]ncc2CNCc2ccc(-n3cccn3)nc2)o1
InChIInChI=1S/C18H18N6O/c1-13-3-5-16(25-13)18-15(12-21-23-18)11-19-9-14-4-6-17(20-10-14)24-8-2-7-22-24/h2-8,10,12,19H,9,11H2,1H3,(H,21,23)
InChIKeyQXYOXBMZBVBCOM-UHFFFAOYSA-N
MW334.38 g/mol
LogP2.85
Rot. Bonds6

About N-[[5-(5-methylfuran-2-yl)-1H-pyrazol-4-yl]methyl]-1-(6-pyrazol-1-yl-3-pyridinyl)methanamine

N-[[5-(5-methylfuran-2-yl)-1H-pyrazol-4-yl]methyl]-1-(6-pyrazol-1-yl-3-pyridinyl)methanamine (PubChem CID 86808570) has the molecular formula C18H18N6O and a molecular weight of 334.38 g/mol. Its IUPAC name is N-[[5-(5-methylfuran-2-yl)-1H-pyrazol-4-yl]methyl]-1-(6-pyrazol-1-yl-3-pyridinyl)methanamine.

Molecular Properties

Compound NameN-[[5-(5-methylfuran-2-yl)-1H-pyrazol-4-yl]methyl]-1-(6-pyrazol-1-yl-3-pyridinyl)methanamine
PubChem CID86808570
Molecular FormulaC18H18N6O
Molecular Weight334.38 g/mol
Exact Mass334.15
IUPAC NameN-[[5-(5-methylfuran-2-yl)-1H-pyrazol-4-yl]methyl]-1-(6-pyrazol-1-yl-3-pyridinyl)methanamine
SMILESCc1ccc(-c2[nH]ncc2CNCc2ccc(-n3cccn3)nc2)o1
InChIInChI=1S/C18H18N6O/c1-13-3-5-16(25-13)18-15(12-21-23-18)11-19-9-14-4-6-17(20-10-14)24-8-2-7-22-24/h2-8,10,12,19H,9,11H2,1H3,(H,21,23)
InChIKeyQXYOXBMZBVBCOM-UHFFFAOYSA-N
XLogP2.85
TPSA84.56 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.38
LogP ≤ 52.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[[5-(5-methylfuran-2-yl)-1H-pyrazol-4-yl]methyl]-1-(6-pyrazol-1-yl-3-pyridinyl)methanamine?
The IUPAC name of N-[[5-(5-methylfuran-2-yl)-1H-pyrazol-4-yl]methyl]-1-(6-pyrazol-1-yl-3-pyridinyl)methanamine (CID 86808570) is N-[[5-(5-methylfuran-2-yl)-1H-pyrazol-4-yl]methyl]-1-(6-pyrazol-1-yl-3-pyridinyl)methanamine.
What is the SMILES notation for N-[[5-(5-methylfuran-2-yl)-1H-pyrazol-4-yl]methyl]-1-(6-pyrazol-1-yl-3-pyridinyl)methanamine?
The canonical SMILES for N-[[5-(5-methylfuran-2-yl)-1H-pyrazol-4-yl]methyl]-1-(6-pyrazol-1-yl-3-pyridinyl)methanamine is Cc1ccc(-c2[nH]ncc2CNCc2ccc(-n3cccn3)nc2)o1.
What is the InChIKey of N-[[5-(5-methylfuran-2-yl)-1H-pyrazol-4-yl]methyl]-1-(6-pyrazol-1-yl-3-pyridinyl)methanamine?
The InChIKey is QXYOXBMZBVBCOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N6O/c1-13-3-5-16(25-13)18-15(12-21-23-18)11-19-9-14-4-6-17(20-10-14)24-8-2-7-22-24/h2-8,10,12,19H,9,11H2,1H3,(H,21,23).
What are the key properties of N-[[5-(5-methylfuran-2-yl)-1H-pyrazol-4-yl]methyl]-1-(6-pyrazol-1-yl-3-pyridinyl)methanamine?
N-[[5-(5-methylfuran-2-yl)-1H-pyrazol-4-yl]methyl]-1-(6-pyrazol-1-yl-3-pyridinyl)methanamine has a molecular weight of 334.38 g/mol, XLogP of 2.85, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(5-methylfuran-2-yl)-1H-pyrazol-4-yl]methyl]-1-(6-pyrazol-1-yl-3-pyridinyl)methanamine is sourced from PubChem (CID 86808570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).