N-[(3-hydroxycyclobutyl)-(1-methylpyrazol-4-yl)methyl]-4-(5-methylfuran-2-yl)benzamide

C21H23N3O3 — CID 91793399

IUPACN-[(3-hydroxycyclobutyl)-(1-methylpyrazol-4-yl)methyl]-4-(5-methylfuran-2-yl)benzamide
SMILESCc1ccc(-c2ccc(C(=O)NC(c3cnn(C)c3)C3CC(O)C3)cc2)o1
InChIInChI=1S/C21H23N3O3/c1-13-3-8-19(27-13)14-4-6-15(7-5-14)21(26)23-20(16-9-18(25)10-16)17-11-22-24(2)12-17/h3-8,11-12,16,18,20,25H,9-10H2,1-2H3,(H,23,26)
InChIKeySWLIPKDESTUXOS-UHFFFAOYSA-N
MW365.43 g/mol
LogP3.23
Rot. Bonds5

About N-[(3-hydroxycyclobutyl)-(1-methylpyrazol-4-yl)methyl]-4-(5-methylfuran-2-yl)benzamide

N-[(3-hydroxycyclobutyl)-(1-methylpyrazol-4-yl)methyl]-4-(5-methylfuran-2-yl)benzamide (PubChem CID 91793399) has the molecular formula C21H23N3O3 and a molecular weight of 365.43 g/mol. Its IUPAC name is N-[(3-hydroxycyclobutyl)-(1-methylpyrazol-4-yl)methyl]-4-(5-methylfuran-2-yl)benzamide.

Molecular Properties

Compound NameN-[(3-hydroxycyclobutyl)-(1-methylpyrazol-4-yl)methyl]-4-(5-methylfuran-2-yl)benzamide
PubChem CID91793399
Molecular FormulaC21H23N3O3
Molecular Weight365.43 g/mol
Exact Mass365.17
IUPAC NameN-[(3-hydroxycyclobutyl)-(1-methylpyrazol-4-yl)methyl]-4-(5-methylfuran-2-yl)benzamide
SMILESCc1ccc(-c2ccc(C(=O)NC(c3cnn(C)c3)C3CC(O)C3)cc2)o1
InChIInChI=1S/C21H23N3O3/c1-13-3-8-19(27-13)14-4-6-15(7-5-14)21(26)23-20(16-9-18(25)10-16)17-11-22-24(2)12-17/h3-8,11-12,16,18,20,25H,9-10H2,1-2H3,(H,23,26)
InChIKeySWLIPKDESTUXOS-UHFFFAOYSA-N
XLogP3.23
TPSA80.29 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.43
LogP ≤ 53.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(3-hydroxycyclobutyl)-(1-methylpyrazol-4-yl)methyl]-4-(1H-pyrazol-5-yl)benzamide
CID 91768715
N-[(3-hydroxycyclobutyl)-(1-methylpyrazol-4-yl)methyl]-2-methyl-1,3-benzoxazole-6-carboxamide
CID 91760718
N-[(3-hydroxycyclobutyl)-(1-methylpyrazol-4-yl)methyl]-3-methyl-2-oxo-1,3-benzoxazole-5-carboxamide
CID 91772963
3-chloro-4-hydroxy-N-[(3-hydroxycyclobutyl)-(1-methylpyrazol-4-yl)methyl]benzamide
CID 91795698
4-fluoro-N-[(3-hydroxycyclobutyl)-(1-methylpyrazol-4-yl)methyl]-2-methylbenzamide
CID 91788133
N-[(3-hydroxycyclobutyl)-(1-methylpyrazol-4-yl)methyl]-5-propan-2-yl-1,2-oxazole-3-carboxamide
CID 91761841
3-fluoro-N-[(3-hydroxycyclobutyl)-(1-methylpyrazol-4-yl)methyl]-4-methoxybenzamide
CID 91775812
5-chloro-N-[(3-hydroxycyclobutyl)-(1-methylpyrazol-4-yl)methyl]pyridine-3-carboxamide
CID 91790041
N-[(3-hydroxycyclobutyl)-(1-methylpyrazol-4-yl)methyl]-4-(hydroxymethyl)-5-methyl-1,2-oxazole-3-carboxamide
CID 91797284
N-[(3-hydroxycyclobutyl)-(1-methylpyrazol-4-yl)methyl]-2-(hydroxymethyl)-3H-benzimidazole-5-carboxamide
CID 91766582
N-[(3-hydroxycyclobutyl)-(1-methylpyrazol-4-yl)methyl]pyrazine-2-carboxamide
CID 91776644
5-fluoro-2-hydroxy-N-[(3-hydroxycyclobutyl)-(1-methylpyrazol-4-yl)methyl]benzamide
CID 91772771

Frequently Asked Questions

What is the IUPAC name of N-[(3-hydroxycyclobutyl)-(1-methylpyrazol-4-yl)methyl]-4-(5-methylfuran-2-yl)benzamide?
The IUPAC name of N-[(3-hydroxycyclobutyl)-(1-methylpyrazol-4-yl)methyl]-4-(5-methylfuran-2-yl)benzamide (CID 91793399) is N-[(3-hydroxycyclobutyl)-(1-methylpyrazol-4-yl)methyl]-4-(5-methylfuran-2-yl)benzamide.
What is the SMILES notation for N-[(3-hydroxycyclobutyl)-(1-methylpyrazol-4-yl)methyl]-4-(5-methylfuran-2-yl)benzamide?
The canonical SMILES for N-[(3-hydroxycyclobutyl)-(1-methylpyrazol-4-yl)methyl]-4-(5-methylfuran-2-yl)benzamide is Cc1ccc(-c2ccc(C(=O)NC(c3cnn(C)c3)C3CC(O)C3)cc2)o1.
What is the InChIKey of N-[(3-hydroxycyclobutyl)-(1-methylpyrazol-4-yl)methyl]-4-(5-methylfuran-2-yl)benzamide?
The InChIKey is SWLIPKDESTUXOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N3O3/c1-13-3-8-19(27-13)14-4-6-15(7-5-14)21(26)23-20(16-9-18(25)10-16)17-11-22-24(2)12-17/h3-8,11-12,16,18,20,25H,9-10H2,1-2H3,(H,23,26).
What are the key properties of N-[(3-hydroxycyclobutyl)-(1-methylpyrazol-4-yl)methyl]-4-(5-methylfuran-2-yl)benzamide?
N-[(3-hydroxycyclobutyl)-(1-methylpyrazol-4-yl)methyl]-4-(5-methylfuran-2-yl)benzamide has a molecular weight of 365.43 g/mol, XLogP of 3.23, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-hydroxycyclobutyl)-(1-methylpyrazol-4-yl)methyl]-4-(5-methylfuran-2-yl)benzamide is sourced from PubChem (CID 91793399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).