N-[2-methyl-3-[3-[(1-methylpyrazol-4-yl)methyl]azetidine-1-carbonyl]phenyl]acetamide

C18H22N4O2 — CID 166252935

IUPACN-[2-methyl-3-[3-[(1-methylpyrazol-4-yl)methyl]azetidine-1-carbonyl]phenyl]acetamide
SMILESCC(=O)Nc1cccc(C(=O)N2CC(Cc3cnn(C)c3)C2)c1C
InChIInChI=1S/C18H22N4O2/c1-12-16(5-4-6-17(12)20-13(2)23)18(24)22-10-15(11-22)7-14-8-19-21(3)9-14/h4-6,8-9,15H,7,10-11H2,1-3H3,(H,20,23)
InChIKeyVFOGZLDSQGERGM-UHFFFAOYSA-N
MW326.40 g/mol
LogP2.00
Rot. Bonds4

About N-[2-methyl-3-[3-[(1-methylpyrazol-4-yl)methyl]azetidine-1-carbonyl]phenyl]acetamide

N-[2-methyl-3-[3-[(1-methylpyrazol-4-yl)methyl]azetidine-1-carbonyl]phenyl]acetamide (PubChem CID 166252935) has the molecular formula C18H22N4O2 and a molecular weight of 326.40 g/mol. Its IUPAC name is N-[2-methyl-3-[3-[(1-methylpyrazol-4-yl)methyl]azetidine-1-carbonyl]phenyl]acetamide.

Molecular Properties

Compound NameN-[2-methyl-3-[3-[(1-methylpyrazol-4-yl)methyl]azetidine-1-carbonyl]phenyl]acetamide
PubChem CID166252935
Molecular FormulaC18H22N4O2
Molecular Weight326.40 g/mol
Exact Mass326.17
IUPAC NameN-[2-methyl-3-[3-[(1-methylpyrazol-4-yl)methyl]azetidine-1-carbonyl]phenyl]acetamide
SMILESCC(=O)Nc1cccc(C(=O)N2CC(Cc3cnn(C)c3)C2)c1C
InChIInChI=1S/C18H22N4O2/c1-12-16(5-4-6-17(12)20-13(2)23)18(24)22-10-15(11-22)7-14-8-19-21(3)9-14/h4-6,8-9,15H,7,10-11H2,1-3H3,(H,20,23)
InChIKeyVFOGZLDSQGERGM-UHFFFAOYSA-N
XLogP2.00
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.40
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[2-methyl-3-[3-[(1-methylpyrazol-4-yl)methyl]azetidine-1-carbonyl]phenyl]acetamide?
The IUPAC name of N-[2-methyl-3-[3-[(1-methylpyrazol-4-yl)methyl]azetidine-1-carbonyl]phenyl]acetamide (CID 166252935) is N-[2-methyl-3-[3-[(1-methylpyrazol-4-yl)methyl]azetidine-1-carbonyl]phenyl]acetamide.
What is the SMILES notation for N-[2-methyl-3-[3-[(1-methylpyrazol-4-yl)methyl]azetidine-1-carbonyl]phenyl]acetamide?
The canonical SMILES for N-[2-methyl-3-[3-[(1-methylpyrazol-4-yl)methyl]azetidine-1-carbonyl]phenyl]acetamide is CC(=O)Nc1cccc(C(=O)N2CC(Cc3cnn(C)c3)C2)c1C.
What is the InChIKey of N-[2-methyl-3-[3-[(1-methylpyrazol-4-yl)methyl]azetidine-1-carbonyl]phenyl]acetamide?
The InChIKey is VFOGZLDSQGERGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N4O2/c1-12-16(5-4-6-17(12)20-13(2)23)18(24)22-10-15(11-22)7-14-8-19-21(3)9-14/h4-6,8-9,15H,7,10-11H2,1-3H3,(H,20,23).
What are the key properties of N-[2-methyl-3-[3-[(1-methylpyrazol-4-yl)methyl]azetidine-1-carbonyl]phenyl]acetamide?
N-[2-methyl-3-[3-[(1-methylpyrazol-4-yl)methyl]azetidine-1-carbonyl]phenyl]acetamide has a molecular weight of 326.40 g/mol, XLogP of 2.00, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-methyl-3-[3-[(1-methylpyrazol-4-yl)methyl]azetidine-1-carbonyl]phenyl]acetamide is sourced from PubChem (CID 166252935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).