5-(5-methylfuran-2-yl)-N-[[2-(pyrrolidin-1-ylmethyl)phenyl]methyl]-1H-pyrazole-3-carboxamide

C21H24N4O2 — CID 112828910

IUPAC5-(5-methylfuran-2-yl)-N-[[2-(pyrrolidin-1-ylmethyl)phenyl]methyl]-1H-pyrazole-3-carboxamide
SMILESCc1ccc(-c2cc(C(=O)NCc3ccccc3CN3CCCC3)n[nH]2)o1
InChIInChI=1S/C21H24N4O2/c1-15-8-9-20(27-15)18-12-19(24-23-18)21(26)22-13-16-6-2-3-7-17(16)14-25-10-4-5-11-25/h2-3,6-9,12H,4-5,10-11,13-14H2,1H3,(H,22,26)(H,23,24)
InChIKeyUHJCUNSHQXOJKZ-UHFFFAOYSA-N
MW364.45 g/mol
LogP3.50
Rot. Bonds6

About 5-(5-methylfuran-2-yl)-N-[[2-(pyrrolidin-1-ylmethyl)phenyl]methyl]-1H-pyrazole-3-carboxamide

5-(5-methylfuran-2-yl)-N-[[2-(pyrrolidin-1-ylmethyl)phenyl]methyl]-1H-pyrazole-3-carboxamide (PubChem CID 112828910) has the molecular formula C21H24N4O2 and a molecular weight of 364.45 g/mol. Its IUPAC name is 5-(5-methylfuran-2-yl)-N-[[2-(pyrrolidin-1-ylmethyl)phenyl]methyl]-1H-pyrazole-3-carboxamide.

Molecular Properties

Compound Name5-(5-methylfuran-2-yl)-N-[[2-(pyrrolidin-1-ylmethyl)phenyl]methyl]-1H-pyrazole-3-carboxamide
PubChem CID112828910
Molecular FormulaC21H24N4O2
Molecular Weight364.45 g/mol
Exact Mass364.19
IUPAC Name5-(5-methylfuran-2-yl)-N-[[2-(pyrrolidin-1-ylmethyl)phenyl]methyl]-1H-pyrazole-3-carboxamide
SMILESCc1ccc(-c2cc(C(=O)NCc3ccccc3CN3CCCC3)n[nH]2)o1
InChIInChI=1S/C21H24N4O2/c1-15-8-9-20(27-15)18-12-19(24-23-18)21(26)22-13-16-6-2-3-7-17(16)14-25-10-4-5-11-25/h2-3,6-9,12H,4-5,10-11,13-14H2,1H3,(H,22,26)(H,23,24)
InChIKeyUHJCUNSHQXOJKZ-UHFFFAOYSA-N
XLogP3.50
TPSA74.16 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.45
LogP ≤ 53.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 5-(5-methylfuran-2-yl)-N-[[2-(pyrrolidin-1-ylmethyl)phenyl]methyl]-1H-pyrazole-3-carboxamide with MolForge

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Related Compounds

5-(5-methylfuran-2-yl)-N-(1-piperidin-1-ylpropan-2-yl)-1H-pyrazole-3-carboxamide
CID 112829266
N-(cyclopropylmethyl)-5-(5-methylfuran-2-yl)-1H-pyrazole-3-carboxamide
CID 166187750
5-(5-methylfuran-2-yl)-N-(2-phenylethyl)-1H-pyrazole-3-carboxamide
CID 112829139
N-[[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-5-(5-methylfuran-2-yl)-1H-pyrazole-3-carboxamide
CID 97123074
N-[(2-benzyl-2-azabicyclo[2.1.1]hexan-1-yl)methyl]-5-(5-methylfuran-2-yl)-1H-pyrazole-3-carboxamide
CID 162646082
N-[(5-acetyl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl)methyl]-5-(5-methylfuran-2-yl)-1H-pyrazole-3-carboxamide
CID 74234881
N-[3-(methylamino)propyl]-5-(5-methylfuran-2-yl)-1H-pyrazole-3-carboxamide;hydrochloride
CID 119434158
N-[(5-bromothiophen-2-yl)methyl]-5-(5-methylfuran-2-yl)-1H-pyrazole-3-carboxamide
CID 112829365
N-[[(2R)-3,4-dihydro-2H-chromen-2-yl]methyl]-5-(5-methylfuran-2-yl)-1H-pyrazole-3-carboxamide
CID 70739570
N-[(2-chlorophenyl)methyl]-N-methyl-5-(5-methylfuran-2-yl)-1H-pyrazole-3-carboxamide
CID 112828721
N-[[5-(4-methoxyphenyl)-1H-pyrazol-4-yl]methyl]-5-(5-methylfuran-2-yl)-1H-pyrazole-3-carboxamide
CID 70772191
5-(5-methylfuran-2-yl)-N-[[6-(4-methylpiperidin-1-yl)-3-pyridinyl]methyl]-1H-pyrazole-3-carboxamide
CID 112829886

Frequently Asked Questions

What is the IUPAC name of 5-(5-methylfuran-2-yl)-N-[[2-(pyrrolidin-1-ylmethyl)phenyl]methyl]-1H-pyrazole-3-carboxamide?
The IUPAC name of 5-(5-methylfuran-2-yl)-N-[[2-(pyrrolidin-1-ylmethyl)phenyl]methyl]-1H-pyrazole-3-carboxamide (CID 112828910) is 5-(5-methylfuran-2-yl)-N-[[2-(pyrrolidin-1-ylmethyl)phenyl]methyl]-1H-pyrazole-3-carboxamide.
What is the SMILES notation for 5-(5-methylfuran-2-yl)-N-[[2-(pyrrolidin-1-ylmethyl)phenyl]methyl]-1H-pyrazole-3-carboxamide?
The canonical SMILES for 5-(5-methylfuran-2-yl)-N-[[2-(pyrrolidin-1-ylmethyl)phenyl]methyl]-1H-pyrazole-3-carboxamide is Cc1ccc(-c2cc(C(=O)NCc3ccccc3CN3CCCC3)n[nH]2)o1.
What is the InChIKey of 5-(5-methylfuran-2-yl)-N-[[2-(pyrrolidin-1-ylmethyl)phenyl]methyl]-1H-pyrazole-3-carboxamide?
The InChIKey is UHJCUNSHQXOJKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N4O2/c1-15-8-9-20(27-15)18-12-19(24-23-18)21(26)22-13-16-6-2-3-7-17(16)14-25-10-4-5-11-25/h2-3,6-9,12H,4-5,10-11,13-14H2,1H3,(H,22,26)(H,23,24).
What are the key properties of 5-(5-methylfuran-2-yl)-N-[[2-(pyrrolidin-1-ylmethyl)phenyl]methyl]-1H-pyrazole-3-carboxamide?
5-(5-methylfuran-2-yl)-N-[[2-(pyrrolidin-1-ylmethyl)phenyl]methyl]-1H-pyrazole-3-carboxamide has a molecular weight of 364.45 g/mol, XLogP of 3.50, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(5-methylfuran-2-yl)-N-[[2-(pyrrolidin-1-ylmethyl)phenyl]methyl]-1H-pyrazole-3-carboxamide is sourced from PubChem (CID 112828910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).