[5-(5-methylfuran-2-yl)-1H-pyrazol-3-yl]-(2-pyridin-3-ylpyrrolidin-1-yl)methanone

C18H18N4O2 — CID 70784094

IUPAC[5-(5-methylfuran-2-yl)-1H-pyrazol-3-yl]-(2-pyridin-3-ylpyrrolidin-1-yl)methanone
SMILESCc1ccc(-c2cc(C(=O)N3CCCC3c3cccnc3)n[nH]2)o1
InChIInChI=1S/C18H18N4O2/c1-12-6-7-17(24-12)14-10-15(21-20-14)18(23)22-9-3-5-16(22)13-4-2-8-19-11-13/h2,4,6-8,10-11,16H,3,5,9H2,1H3,(H,20,21)
InChIKeyMGALODYELKOOHO-UHFFFAOYSA-N
MW322.37 g/mol
LogP3.35
Rot. Bonds3

About [5-(5-methylfuran-2-yl)-1H-pyrazol-3-yl]-(2-pyridin-3-ylpyrrolidin-1-yl)methanone

[5-(5-methylfuran-2-yl)-1H-pyrazol-3-yl]-(2-pyridin-3-ylpyrrolidin-1-yl)methanone (PubChem CID 70784094) has the molecular formula C18H18N4O2 and a molecular weight of 322.37 g/mol. Its IUPAC name is [5-(5-methylfuran-2-yl)-1H-pyrazol-3-yl]-(2-pyridin-3-ylpyrrolidin-1-yl)methanone.

Molecular Properties

Compound Name[5-(5-methylfuran-2-yl)-1H-pyrazol-3-yl]-(2-pyridin-3-ylpyrrolidin-1-yl)methanone
PubChem CID70784094
Molecular FormulaC18H18N4O2
Molecular Weight322.37 g/mol
Exact Mass322.14
IUPAC Name[5-(5-methylfuran-2-yl)-1H-pyrazol-3-yl]-(2-pyridin-3-ylpyrrolidin-1-yl)methanone
SMILESCc1ccc(-c2cc(C(=O)N3CCCC3c3cccnc3)n[nH]2)o1
InChIInChI=1S/C18H18N4O2/c1-12-6-7-17(24-12)14-10-15(21-20-14)18(23)22-9-3-5-16(22)13-4-2-8-19-11-13/h2,4,6-8,10-11,16H,3,5,9H2,1H3,(H,20,21)
InChIKeyMGALODYELKOOHO-UHFFFAOYSA-N
XLogP3.35
TPSA75.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.37
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

Furan-2-carboxamide deriv., 26
CID 44236909
Furan-2-carboxamide deriv., 27
CID 44236910
Furan-2-carboxamide deriv., 28
CID 44236911
Furan-2-carboxamide deriv., 29
CID 44236912
US10022354, Example 70
CID 121279678
3-(5-Methyl-2-furyl)-N'-(3-pyridinylmethylene)-1H-pyrazole-5-carbohydrazide
CID 6872294
N-(3-{N-[5-(1H-pyrazol-1-ylmethyl)-2-furoyl]ethanehydrazonoyl}phenyl)isonicotinamide
CID 5431606
4-(4-Isopropoxy-1H-pyrazolo[4,3-c]pyridin-3-yl)-1-isopropyl-N-(oxetan-3-yl)-1H-pyrrole-2-carboxaMide
CID 56941655
US10022354, Example 52
CID 121279730
N'-[(E)-(4-ethoxyphenyl)methylidene]-3-(1-methyl-1H-pyrrol-2-yl)-1H-pyrazole-5-carbohydrazide
CID 6869471
N-[(E)-[3-(5-methylfuran-2-yl)-1-phenylpyrazol-4-yl]methylideneamino]pyridine-4-carboxamide
CID 6899793
5-(1-Methyl-1H-pyrrol-2-yl)-2H-pyrazole-3-carboxylic acid (3-methoxy-benzylidene)-hydrazide
CID 9557099

Frequently Asked Questions

What is the IUPAC name of [5-(5-methylfuran-2-yl)-1H-pyrazol-3-yl]-(2-pyridin-3-ylpyrrolidin-1-yl)methanone?
The IUPAC name of [5-(5-methylfuran-2-yl)-1H-pyrazol-3-yl]-(2-pyridin-3-ylpyrrolidin-1-yl)methanone (CID 70784094) is [5-(5-methylfuran-2-yl)-1H-pyrazol-3-yl]-(2-pyridin-3-ylpyrrolidin-1-yl)methanone.
What is the SMILES notation for [5-(5-methylfuran-2-yl)-1H-pyrazol-3-yl]-(2-pyridin-3-ylpyrrolidin-1-yl)methanone?
The canonical SMILES for [5-(5-methylfuran-2-yl)-1H-pyrazol-3-yl]-(2-pyridin-3-ylpyrrolidin-1-yl)methanone is Cc1ccc(-c2cc(C(=O)N3CCCC3c3cccnc3)n[nH]2)o1.
What is the InChIKey of [5-(5-methylfuran-2-yl)-1H-pyrazol-3-yl]-(2-pyridin-3-ylpyrrolidin-1-yl)methanone?
The InChIKey is MGALODYELKOOHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N4O2/c1-12-6-7-17(24-12)14-10-15(21-20-14)18(23)22-9-3-5-16(22)13-4-2-8-19-11-13/h2,4,6-8,10-11,16H,3,5,9H2,1H3,(H,20,21).
What are the key properties of [5-(5-methylfuran-2-yl)-1H-pyrazol-3-yl]-(2-pyridin-3-ylpyrrolidin-1-yl)methanone?
[5-(5-methylfuran-2-yl)-1H-pyrazol-3-yl]-(2-pyridin-3-ylpyrrolidin-1-yl)methanone has a molecular weight of 322.37 g/mol, XLogP of 3.35, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(5-methylfuran-2-yl)-1H-pyrazol-3-yl]-(2-pyridin-3-ylpyrrolidin-1-yl)methanone is sourced from PubChem (CID 70784094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).