2-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-[1-(3-hydroxycyclobutyl)propyl]acetamide

C14H22ClN3O2 — CID 91773530

IUPAC2-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-[1-(3-hydroxycyclobutyl)propyl]acetamide
SMILESCCC(NC(=O)Cn1nc(C)c(Cl)c1C)C1CC(O)C1
InChIInChI=1S/C14H22ClN3O2/c1-4-12(10-5-11(19)6-10)16-13(20)7-18-9(3)14(15)8(2)17-18/h10-12,19H,4-7H2,1-3H3,(H,16,20)
InChIKeySKNMUDPJAPUWOZ-UHFFFAOYSA-N
MW299.80 g/mol
LogP1.82
Rot. Bonds5

About 2-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-[1-(3-hydroxycyclobutyl)propyl]acetamide

2-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-[1-(3-hydroxycyclobutyl)propyl]acetamide (PubChem CID 91773530) has the molecular formula C14H22ClN3O2 and a molecular weight of 299.80 g/mol. Its IUPAC name is 2-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-[1-(3-hydroxycyclobutyl)propyl]acetamide.

Molecular Properties

Compound Name2-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-[1-(3-hydroxycyclobutyl)propyl]acetamide
PubChem CID91773530
Molecular FormulaC14H22ClN3O2
Molecular Weight299.80 g/mol
Exact Mass299.14
IUPAC Name2-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-[1-(3-hydroxycyclobutyl)propyl]acetamide
SMILESCCC(NC(=O)Cn1nc(C)c(Cl)c1C)C1CC(O)C1
InChIInChI=1S/C14H22ClN3O2/c1-4-12(10-5-11(19)6-10)16-13(20)7-18-9(3)14(15)8(2)17-18/h10-12,19H,4-7H2,1-3H3,(H,16,20)
InChIKeySKNMUDPJAPUWOZ-UHFFFAOYSA-N
XLogP1.82
TPSA67.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.80
LogP ≤ 51.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-butan-2-yl-2-(4-chloro-3,5-dimethylpyrazol-1-yl)acetamide
CID 19525213
2-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-[(1S)-1-phenylethyl]acetamide
CID 7348161
N-[1-(3-hydroxycyclobutyl)propyl]-2-(5-methyl-2,4-dioxopyrimidin-1-yl)acetamide
CID 91767253
2-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-[(1R)-1-(5-methyl-1H-1,2,4-triazol-3-yl)ethyl]acetamide
CID 125171072
(2S)-2-[[2-(4-chloro-3,5-dimethylpyrazol-1-yl)acetyl]amino]-2-cyclopropylpropanoic acid
CID 124698958
N-(2-aminoethyl)-2-(4-chloro-3,5-dimethylpyrazol-1-yl)acetamide;hydrochloride
CID 119384557
2-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-(3-hydroxy-4-methylpentyl)acetamide
CID 111460706
2-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)acetamide
CID 111658872
2-(4-chloro-3,5-dimethylpyrazol-1-yl)-1-[3-(1-hydroxyethyl)pyrrolidin-1-yl]ethanone
CID 110023388
N-[(2S)-butan-2-yl]-2-(4-chloro-5-methyl-3-nitropyrazol-1-yl)acetamide
CID 749073
N-[(1R)-1-[(1R,2R,4R)-2-bicyclo[2.2.1]heptanyl]ethyl]-3-(4-chloro-3,5-dimethylpyrazol-1-yl)propanamide
CID 98224365
N-[(1R)-1-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]-3-(4-chloro-3,5-dimethylpyrazol-1-yl)propanamide
CID 98331655

Frequently Asked Questions

What is the IUPAC name of 2-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-[1-(3-hydroxycyclobutyl)propyl]acetamide?
The IUPAC name of 2-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-[1-(3-hydroxycyclobutyl)propyl]acetamide (CID 91773530) is 2-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-[1-(3-hydroxycyclobutyl)propyl]acetamide.
What is the SMILES notation for 2-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-[1-(3-hydroxycyclobutyl)propyl]acetamide?
The canonical SMILES for 2-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-[1-(3-hydroxycyclobutyl)propyl]acetamide is CCC(NC(=O)Cn1nc(C)c(Cl)c1C)C1CC(O)C1.
What is the InChIKey of 2-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-[1-(3-hydroxycyclobutyl)propyl]acetamide?
The InChIKey is SKNMUDPJAPUWOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22ClN3O2/c1-4-12(10-5-11(19)6-10)16-13(20)7-18-9(3)14(15)8(2)17-18/h10-12,19H,4-7H2,1-3H3,(H,16,20).
What are the key properties of 2-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-[1-(3-hydroxycyclobutyl)propyl]acetamide?
2-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-[1-(3-hydroxycyclobutyl)propyl]acetamide has a molecular weight of 299.80 g/mol, XLogP of 1.82, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-[1-(3-hydroxycyclobutyl)propyl]acetamide is sourced from PubChem (CID 91773530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).