2-[1-[[5-(1H-pyrazol-5-yl)furan-2-yl]methyl]pyrrolidin-2-yl]pyridine

C17H18N4O — CID 50977464

IUPAC2-[1-[[5-(1H-pyrazol-5-yl)furan-2-yl]methyl]pyrrolidin-2-yl]pyridine
SMILESc1ccc(C2CCCN2Cc2ccc(-c3ccn[nH]3)o2)nc1
InChIInChI=1S/C17H18N4O/c1-2-9-18-14(4-1)16-5-3-11-21(16)12-13-6-7-17(22-13)15-8-10-19-20-15/h1-2,4,6-10,16H,3,5,11-12H2,(H,19,20)
InChIKeyWNOLXKZKYMHACF-UHFFFAOYSA-N
MW294.36 g/mol
LogP3.40
Rot. Bonds4

About 2-[1-[[5-(1H-pyrazol-5-yl)furan-2-yl]methyl]pyrrolidin-2-yl]pyridine

2-[1-[[5-(1H-pyrazol-5-yl)furan-2-yl]methyl]pyrrolidin-2-yl]pyridine (PubChem CID 50977464) has the molecular formula C17H18N4O and a molecular weight of 294.36 g/mol. Its IUPAC name is 2-[1-[[5-(1H-pyrazol-5-yl)furan-2-yl]methyl]pyrrolidin-2-yl]pyridine.

Molecular Properties

Compound Name2-[1-[[5-(1H-pyrazol-5-yl)furan-2-yl]methyl]pyrrolidin-2-yl]pyridine
PubChem CID50977464
Molecular FormulaC17H18N4O
Molecular Weight294.36 g/mol
Exact Mass294.15
IUPAC Name2-[1-[[5-(1H-pyrazol-5-yl)furan-2-yl]methyl]pyrrolidin-2-yl]pyridine
SMILESc1ccc(C2CCCN2Cc2ccc(-c3ccn[nH]3)o2)nc1
InChIInChI=1S/C17H18N4O/c1-2-9-18-14(4-1)16-5-3-11-21(16)12-13-6-7-17(22-13)15-8-10-19-20-15/h1-2,4,6-10,16H,3,5,11-12H2,(H,19,20)
InChIKeyWNOLXKZKYMHACF-UHFFFAOYSA-N
XLogP3.40
TPSA57.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.36
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(5-Methyl-2-furyl)-N'-(3-pyridinylmethylene)-1H-pyrazole-5-carbohydrazide
CID 6872294
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
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-[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
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
2-[1-tert-butyl-5-(1H-pyrrol-2-yl)pyrazol-3-yl]-1,3-benzoxazole
CID 163363526
US10022354, Example 143
CID 132070199

Frequently Asked Questions

What is the IUPAC name of 2-[1-[[5-(1H-pyrazol-5-yl)furan-2-yl]methyl]pyrrolidin-2-yl]pyridine?
The IUPAC name of 2-[1-[[5-(1H-pyrazol-5-yl)furan-2-yl]methyl]pyrrolidin-2-yl]pyridine (CID 50977464) is 2-[1-[[5-(1H-pyrazol-5-yl)furan-2-yl]methyl]pyrrolidin-2-yl]pyridine.
What is the SMILES notation for 2-[1-[[5-(1H-pyrazol-5-yl)furan-2-yl]methyl]pyrrolidin-2-yl]pyridine?
The canonical SMILES for 2-[1-[[5-(1H-pyrazol-5-yl)furan-2-yl]methyl]pyrrolidin-2-yl]pyridine is c1ccc(C2CCCN2Cc2ccc(-c3ccn[nH]3)o2)nc1.
What is the InChIKey of 2-[1-[[5-(1H-pyrazol-5-yl)furan-2-yl]methyl]pyrrolidin-2-yl]pyridine?
The InChIKey is WNOLXKZKYMHACF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N4O/c1-2-9-18-14(4-1)16-5-3-11-21(16)12-13-6-7-17(22-13)15-8-10-19-20-15/h1-2,4,6-10,16H,3,5,11-12H2,(H,19,20).
What are the key properties of 2-[1-[[5-(1H-pyrazol-5-yl)furan-2-yl]methyl]pyrrolidin-2-yl]pyridine?
2-[1-[[5-(1H-pyrazol-5-yl)furan-2-yl]methyl]pyrrolidin-2-yl]pyridine has a molecular weight of 294.36 g/mol, XLogP of 3.40, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[[5-(1H-pyrazol-5-yl)furan-2-yl]methyl]pyrrolidin-2-yl]pyridine is sourced from PubChem (CID 50977464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).