5-(5-methylfuran-2-yl)-N-(oxolan-2-ylmethyl)-N-(pyridin-2-ylmethyl)-1H-pyrazole-3-carboxamide

C20H22N4O3 — CID 70710129

IUPAC5-(5-methylfuran-2-yl)-N-(oxolan-2-ylmethyl)-N-(pyridin-2-ylmethyl)-1H-pyrazole-3-carboxamide
SMILESCc1ccc(-c2cc(C(=O)N(Cc3ccccn3)CC3CCCO3)n[nH]2)o1
InChIInChI=1S/C20H22N4O3/c1-14-7-8-19(27-14)17-11-18(23-22-17)20(25)24(13-16-6-4-10-26-16)12-15-5-2-3-9-21-15/h2-3,5,7-9,11,16H,4,6,10,12-13H2,1H3,(H,22,23)
InChIKeyNSOISUYQSXGHSY-UHFFFAOYSA-N
MW366.42 g/mol
LogP3.19
Rot. Bonds6

About 5-(5-methylfuran-2-yl)-N-(oxolan-2-ylmethyl)-N-(pyridin-2-ylmethyl)-1H-pyrazole-3-carboxamide

5-(5-methylfuran-2-yl)-N-(oxolan-2-ylmethyl)-N-(pyridin-2-ylmethyl)-1H-pyrazole-3-carboxamide (PubChem CID 70710129) has the molecular formula C20H22N4O3 and a molecular weight of 366.42 g/mol. Its IUPAC name is 5-(5-methylfuran-2-yl)-N-(oxolan-2-ylmethyl)-N-(pyridin-2-ylmethyl)-1H-pyrazole-3-carboxamide.

Molecular Properties

Compound Name5-(5-methylfuran-2-yl)-N-(oxolan-2-ylmethyl)-N-(pyridin-2-ylmethyl)-1H-pyrazole-3-carboxamide
PubChem CID70710129
Molecular FormulaC20H22N4O3
Molecular Weight366.42 g/mol
Exact Mass366.17
IUPAC Name5-(5-methylfuran-2-yl)-N-(oxolan-2-ylmethyl)-N-(pyridin-2-ylmethyl)-1H-pyrazole-3-carboxamide
SMILESCc1ccc(-c2cc(C(=O)N(Cc3ccccn3)CC3CCCO3)n[nH]2)o1
InChIInChI=1S/C20H22N4O3/c1-14-7-8-19(27-14)17-11-18(23-22-17)20(25)24(13-16-6-4-10-26-16)12-15-5-2-3-9-21-15/h2-3,5,7-9,11,16H,4,6,10,12-13H2,1H3,(H,22,23)
InChIKeyNSOISUYQSXGHSY-UHFFFAOYSA-N
XLogP3.19
TPSA84.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.42
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 5-(5-methylfuran-2-yl)-N-(oxolan-2-ylmethyl)-N-(pyridin-2-ylmethyl)-1H-pyrazole-3-carboxamide with MolForge

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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
US10022354, Example 52
CID 121279730
N-[(E)-[3-(5-methylfuran-2-yl)-1-phenylpyrazol-4-yl]methylideneamino]pyridine-4-carboxamide
CID 6899793
5-(furan-2-yl)-N-(4-(4-(2-methoxyphenyl)piperazin-1-yl)butyl)-1H-pyrazole-3-carboxamide
CID 11504199
1-[3-(1-benzofuran-2-yl)-1H-pyrazol-4-yl]-N-(pyridin-4-ylmethyl)-N-(tetrahydrofuran-2-ylmethyl)methanamine
CID 16192147
5-[(3,5-dimethyl-1H-pyrazol-1-yl)methyl]-N-3-pyridinyl-2-furamide
CID 4192875
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

Frequently Asked Questions

What is the IUPAC name of 5-(5-methylfuran-2-yl)-N-(oxolan-2-ylmethyl)-N-(pyridin-2-ylmethyl)-1H-pyrazole-3-carboxamide?
The IUPAC name of 5-(5-methylfuran-2-yl)-N-(oxolan-2-ylmethyl)-N-(pyridin-2-ylmethyl)-1H-pyrazole-3-carboxamide (CID 70710129) is 5-(5-methylfuran-2-yl)-N-(oxolan-2-ylmethyl)-N-(pyridin-2-ylmethyl)-1H-pyrazole-3-carboxamide.
What is the SMILES notation for 5-(5-methylfuran-2-yl)-N-(oxolan-2-ylmethyl)-N-(pyridin-2-ylmethyl)-1H-pyrazole-3-carboxamide?
The canonical SMILES for 5-(5-methylfuran-2-yl)-N-(oxolan-2-ylmethyl)-N-(pyridin-2-ylmethyl)-1H-pyrazole-3-carboxamide is Cc1ccc(-c2cc(C(=O)N(Cc3ccccn3)CC3CCCO3)n[nH]2)o1.
What is the InChIKey of 5-(5-methylfuran-2-yl)-N-(oxolan-2-ylmethyl)-N-(pyridin-2-ylmethyl)-1H-pyrazole-3-carboxamide?
The InChIKey is NSOISUYQSXGHSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N4O3/c1-14-7-8-19(27-14)17-11-18(23-22-17)20(25)24(13-16-6-4-10-26-16)12-15-5-2-3-9-21-15/h2-3,5,7-9,11,16H,4,6,10,12-13H2,1H3,(H,22,23).
What are the key properties of 5-(5-methylfuran-2-yl)-N-(oxolan-2-ylmethyl)-N-(pyridin-2-ylmethyl)-1H-pyrazole-3-carboxamide?
5-(5-methylfuran-2-yl)-N-(oxolan-2-ylmethyl)-N-(pyridin-2-ylmethyl)-1H-pyrazole-3-carboxamide has a molecular weight of 366.42 g/mol, XLogP of 3.19, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(5-methylfuran-2-yl)-N-(oxolan-2-ylmethyl)-N-(pyridin-2-ylmethyl)-1H-pyrazole-3-carboxamide is sourced from PubChem (CID 70710129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).