2-methyl-N-[[5-(1H-pyrazol-5-yl)furan-2-yl]methyl]-N-(pyridin-2-ylmethyl)propan-1-amine

C18H22N4O — CID 46988579

IUPAC2-methyl-N-[[5-(1H-pyrazol-5-yl)furan-2-yl]methyl]-N-(pyridin-2-ylmethyl)propan-1-amine
SMILESCC(C)CN(Cc1ccccn1)Cc1ccc(-c2ccn[nH]2)o1
InChIInChI=1S/C18H22N4O/c1-14(2)11-22(12-15-5-3-4-9-19-15)13-16-6-7-18(23-16)17-8-10-20-21-17/h3-10,14H,11-13H2,1-2H3,(H,20,21)
InChIKeyHIUUAUVFPQJJQE-UHFFFAOYSA-N
MW310.40 g/mol
LogP3.72
Rot. Bonds7

About 2-methyl-N-[[5-(1H-pyrazol-5-yl)furan-2-yl]methyl]-N-(pyridin-2-ylmethyl)propan-1-amine

2-methyl-N-[[5-(1H-pyrazol-5-yl)furan-2-yl]methyl]-N-(pyridin-2-ylmethyl)propan-1-amine (PubChem CID 46988579) has the molecular formula C18H22N4O and a molecular weight of 310.40 g/mol. Its IUPAC name is 2-methyl-N-[[5-(1H-pyrazol-5-yl)furan-2-yl]methyl]-N-(pyridin-2-ylmethyl)propan-1-amine.

Molecular Properties

Compound Name2-methyl-N-[[5-(1H-pyrazol-5-yl)furan-2-yl]methyl]-N-(pyridin-2-ylmethyl)propan-1-amine
PubChem CID46988579
Molecular FormulaC18H22N4O
Molecular Weight310.40 g/mol
Exact Mass310.18
IUPAC Name2-methyl-N-[[5-(1H-pyrazol-5-yl)furan-2-yl]methyl]-N-(pyridin-2-ylmethyl)propan-1-amine
SMILESCC(C)CN(Cc1ccccn1)Cc1ccc(-c2ccn[nH]2)o1
InChIInChI=1S/C18H22N4O/c1-14(2)11-22(12-15-5-3-4-9-19-15)13-16-6-7-18(23-16)17-8-10-20-21-17/h3-10,14H,11-13H2,1-2H3,(H,20,21)
InChIKeyHIUUAUVFPQJJQE-UHFFFAOYSA-N
XLogP3.72
TPSA57.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.40
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-methyl-N-[[5-(1H-pyrazol-5-yl)furan-2-yl]methyl]-N-(pyridin-2-ylmethyl)propan-1-amine with MolForge

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Related Compounds

Furan-2-carboxamide deriv., 26
CID 44236909
Furan-2-carboxamide deriv., 28
CID 44236911
3-(5-Methyl-2-furyl)-N'-(3-pyridinylmethylene)-1H-pyrazole-5-carbohydrazide
CID 6872294
US10022354, Example 52
CID 121279730
N-[(E)-[3-(5-methylfuran-2-yl)-1-phenylpyrazol-4-yl]methylideneamino]pyridine-4-carboxamide
CID 6899793
N-{[1-(3-fluorophenyl)-3-(5-methyl-2-furyl)-1H-pyrazol-4-yl]methyl}-2-pyridin-4-ylethanamine
CID 16190175
2-[2-(1-{[3-(1-benzofuran-2-yl)-1H-pyrazol-4-yl]methyl}piperidin-2-yl)ethyl]pyridine
CID 16191107
1-[3-(1-benzofuran-2-yl)-1H-pyrazol-4-yl]-N-(pyridin-4-ylmethyl)-N-(tetrahydrofuran-2-ylmethyl)methanamine
CID 16192147
1-[1-(3-fluorophenyl)-3-(5-methyl-2-furyl)-1H-pyrazol-4-yl]-N-(3-pyridinylmethyl)methanamine
CID 16189085
(1-{[3-(1-benzofuran-2-yl)-1H-pyrazol-4-yl]methyl}piperidin-3-yl)(pyridin-2-yl)methanone
CID 16191032
1-(4-fluorophenyl)-4-{[5-(1H-pyrazol-3-yl)-2-furyl]methyl}-1,4-diazepane
CID 56884532
3-ethyl-4-{[1-(3-fluorophenyl)-3-(5-methyl-2-furyl)-1H-pyrazol-4-yl]methyl}-2-piperazinone
CID 70742762

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[[5-(1H-pyrazol-5-yl)furan-2-yl]methyl]-N-(pyridin-2-ylmethyl)propan-1-amine?
The IUPAC name of 2-methyl-N-[[5-(1H-pyrazol-5-yl)furan-2-yl]methyl]-N-(pyridin-2-ylmethyl)propan-1-amine (CID 46988579) is 2-methyl-N-[[5-(1H-pyrazol-5-yl)furan-2-yl]methyl]-N-(pyridin-2-ylmethyl)propan-1-amine.
What is the SMILES notation for 2-methyl-N-[[5-(1H-pyrazol-5-yl)furan-2-yl]methyl]-N-(pyridin-2-ylmethyl)propan-1-amine?
The canonical SMILES for 2-methyl-N-[[5-(1H-pyrazol-5-yl)furan-2-yl]methyl]-N-(pyridin-2-ylmethyl)propan-1-amine is CC(C)CN(Cc1ccccn1)Cc1ccc(-c2ccn[nH]2)o1.
What is the InChIKey of 2-methyl-N-[[5-(1H-pyrazol-5-yl)furan-2-yl]methyl]-N-(pyridin-2-ylmethyl)propan-1-amine?
The InChIKey is HIUUAUVFPQJJQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N4O/c1-14(2)11-22(12-15-5-3-4-9-19-15)13-16-6-7-18(23-16)17-8-10-20-21-17/h3-10,14H,11-13H2,1-2H3,(H,20,21).
What are the key properties of 2-methyl-N-[[5-(1H-pyrazol-5-yl)furan-2-yl]methyl]-N-(pyridin-2-ylmethyl)propan-1-amine?
2-methyl-N-[[5-(1H-pyrazol-5-yl)furan-2-yl]methyl]-N-(pyridin-2-ylmethyl)propan-1-amine has a molecular weight of 310.40 g/mol, XLogP of 3.72, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[[5-(1H-pyrazol-5-yl)furan-2-yl]methyl]-N-(pyridin-2-ylmethyl)propan-1-amine is sourced from PubChem (CID 46988579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).