2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[1-(3-hydroxycyclobutyl)propyl]acetamide

C14H23N3O2 — CID 91783729

IUPAC2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[1-(3-hydroxycyclobutyl)propyl]acetamide
SMILESCCC(NC(=O)Cc1c(C)n[nH]c1C)C1CC(O)C1
InChIInChI=1S/C14H23N3O2/c1-4-13(10-5-11(18)6-10)15-14(19)7-12-8(2)16-17-9(12)3/h10-11,13,18H,4-7H2,1-3H3,(H,15,19)(H,16,17)
InChIKeyOPSMIONKLNQJJI-UHFFFAOYSA-N
MW265.36 g/mol
LogP1.23
Rot. Bonds5

About 2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[1-(3-hydroxycyclobutyl)propyl]acetamide

2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[1-(3-hydroxycyclobutyl)propyl]acetamide (PubChem CID 91783729) has the molecular formula C14H23N3O2 and a molecular weight of 265.36 g/mol. Its IUPAC name is 2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[1-(3-hydroxycyclobutyl)propyl]acetamide.

Molecular Properties

Compound Name2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[1-(3-hydroxycyclobutyl)propyl]acetamide
PubChem CID91783729
Molecular FormulaC14H23N3O2
Molecular Weight265.36 g/mol
Exact Mass265.18
IUPAC Name2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[1-(3-hydroxycyclobutyl)propyl]acetamide
SMILESCCC(NC(=O)Cc1c(C)n[nH]c1C)C1CC(O)C1
InChIInChI=1S/C14H23N3O2/c1-4-13(10-5-11(18)6-10)15-14(19)7-12-8(2)16-17-9(12)3/h10-11,13,18H,4-7H2,1-3H3,(H,15,19)(H,16,17)
InChIKeyOPSMIONKLNQJJI-UHFFFAOYSA-N
XLogP1.23
TPSA78.01 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.36
LogP ≤ 51.23
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[1-(3-hydroxycyclobutyl)propyl]acetamide?
The IUPAC name of 2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[1-(3-hydroxycyclobutyl)propyl]acetamide (CID 91783729) is 2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[1-(3-hydroxycyclobutyl)propyl]acetamide.
What is the SMILES notation for 2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[1-(3-hydroxycyclobutyl)propyl]acetamide?
The canonical SMILES for 2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[1-(3-hydroxycyclobutyl)propyl]acetamide is CCC(NC(=O)Cc1c(C)n[nH]c1C)C1CC(O)C1.
What is the InChIKey of 2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[1-(3-hydroxycyclobutyl)propyl]acetamide?
The InChIKey is OPSMIONKLNQJJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O2/c1-4-13(10-5-11(18)6-10)15-14(19)7-12-8(2)16-17-9(12)3/h10-11,13,18H,4-7H2,1-3H3,(H,15,19)(H,16,17).
What are the key properties of 2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[1-(3-hydroxycyclobutyl)propyl]acetamide?
2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[1-(3-hydroxycyclobutyl)propyl]acetamide has a molecular weight of 265.36 g/mol, XLogP of 1.23, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[1-(3-hydroxycyclobutyl)propyl]acetamide is sourced from PubChem (CID 91783729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).