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

C19H22N4O2 — CID 46985726

IUPAC1-(oxolan-2-yl)-N-[[5-(1H-pyrazol-5-yl)furan-2-yl]methyl]-N-(pyridin-2-ylmethyl)methanamine
SMILESc1ccc(CN(Cc2ccc(-c3ccn[nH]3)o2)CC2CCCO2)nc1
InChIInChI=1S/C19H22N4O2/c1-2-9-20-15(4-1)12-23(13-16-5-3-11-24-16)14-17-6-7-19(25-17)18-8-10-21-22-18/h1-2,4,6-10,16H,3,5,11-14H2,(H,21,22)
InChIKeyGJIIZYJNQZGGLO-UHFFFAOYSA-N
MW338.41 g/mol
LogP3.25
Rot. Bonds7

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

1-(oxolan-2-yl)-N-[[5-(1H-pyrazol-5-yl)furan-2-yl]methyl]-N-(pyridin-2-ylmethyl)methanamine (PubChem CID 46985726) has the molecular formula C19H22N4O2 and a molecular weight of 338.41 g/mol. Its IUPAC name is 1-(oxolan-2-yl)-N-[[5-(1H-pyrazol-5-yl)furan-2-yl]methyl]-N-(pyridin-2-ylmethyl)methanamine.

Molecular Properties

Compound Name1-(oxolan-2-yl)-N-[[5-(1H-pyrazol-5-yl)furan-2-yl]methyl]-N-(pyridin-2-ylmethyl)methanamine
PubChem CID46985726
Molecular FormulaC19H22N4O2
Molecular Weight338.41 g/mol
Exact Mass338.17
IUPAC Name1-(oxolan-2-yl)-N-[[5-(1H-pyrazol-5-yl)furan-2-yl]methyl]-N-(pyridin-2-ylmethyl)methanamine
SMILESc1ccc(CN(Cc2ccc(-c3ccn[nH]3)o2)CC2CCCO2)nc1
InChIInChI=1S/C19H22N4O2/c1-2-9-20-15(4-1)12-23(13-16-5-3-11-24-16)14-17-6-7-19(25-17)18-8-10-21-22-18/h1-2,4,6-10,16H,3,5,11-14H2,(H,21,22)
InChIKeyGJIIZYJNQZGGLO-UHFFFAOYSA-N
XLogP3.25
TPSA67.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.41
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

Furan-2-carboxamide deriv., 26
CID 44236909
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
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
3-Tert-butyl-5-[6-(furan-2-yl)-3-pyridinyl]-4-(2-methoxy-3-pyridinyl)-2,4-dihydropyrrolo[3,4-c]pyrazol-6-one
CID 58365842
(1-{[3-(1-benzofuran-2-yl)-1H-pyrazol-4-yl]methyl}piperidin-3-yl)(pyridin-2-yl)methanone
CID 16191032
N-(furan-2-ylmethyl)-3-phenyl-1-[(3-pyridin-3-yl-4,5-dihydro-1,2-oxazol-5-yl)methyl]pyrazole-5-carboxamide
CID 23723324
1-(4-fluorophenyl)-4-{[5-(1H-pyrazol-3-yl)-2-furyl]methyl}-1,4-diazepane
CID 56884532
1-[1-(3-fluorophenyl)-3-(5-methyl-2-furyl)-1H-pyrazol-4-yl]-N-methyl-N-[(5-methyl-1H-pyrazol-3-yl)methyl]methanamine
CID 70783527
US10022354, Example 143
CID 132070199

Frequently Asked Questions

What is the IUPAC name of 1-(oxolan-2-yl)-N-[[5-(1H-pyrazol-5-yl)furan-2-yl]methyl]-N-(pyridin-2-ylmethyl)methanamine?
The IUPAC name of 1-(oxolan-2-yl)-N-[[5-(1H-pyrazol-5-yl)furan-2-yl]methyl]-N-(pyridin-2-ylmethyl)methanamine (CID 46985726) is 1-(oxolan-2-yl)-N-[[5-(1H-pyrazol-5-yl)furan-2-yl]methyl]-N-(pyridin-2-ylmethyl)methanamine.
What is the SMILES notation for 1-(oxolan-2-yl)-N-[[5-(1H-pyrazol-5-yl)furan-2-yl]methyl]-N-(pyridin-2-ylmethyl)methanamine?
The canonical SMILES for 1-(oxolan-2-yl)-N-[[5-(1H-pyrazol-5-yl)furan-2-yl]methyl]-N-(pyridin-2-ylmethyl)methanamine is c1ccc(CN(Cc2ccc(-c3ccn[nH]3)o2)CC2CCCO2)nc1.
What is the InChIKey of 1-(oxolan-2-yl)-N-[[5-(1H-pyrazol-5-yl)furan-2-yl]methyl]-N-(pyridin-2-ylmethyl)methanamine?
The InChIKey is GJIIZYJNQZGGLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N4O2/c1-2-9-20-15(4-1)12-23(13-16-5-3-11-24-16)14-17-6-7-19(25-17)18-8-10-21-22-18/h1-2,4,6-10,16H,3,5,11-14H2,(H,21,22).
What are the key properties of 1-(oxolan-2-yl)-N-[[5-(1H-pyrazol-5-yl)furan-2-yl]methyl]-N-(pyridin-2-ylmethyl)methanamine?
1-(oxolan-2-yl)-N-[[5-(1H-pyrazol-5-yl)furan-2-yl]methyl]-N-(pyridin-2-ylmethyl)methanamine has a molecular weight of 338.41 g/mol, XLogP of 3.25, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(oxolan-2-yl)-N-[[5-(1H-pyrazol-5-yl)furan-2-yl]methyl]-N-(pyridin-2-ylmethyl)methanamine is sourced from PubChem (CID 46985726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).