N-(2-butan-2-ylpyrazol-3-yl)-2-chlorobenzamide

C14H16ClN3O — CID 78793939

IUPACN-(2-butan-2-ylpyrazol-3-yl)-2-chlorobenzamide
SMILESCCC(C)n1nccc1NC(=O)c1ccccc1Cl
InChIInChI=1S/C14H16ClN3O/c1-3-10(2)18-13(8-9-16-18)17-14(19)11-6-4-5-7-12(11)15/h4-10H,3H2,1-2H3,(H,17,19)
InChIKeyRILOSHDLCZMLFP-UHFFFAOYSA-N
MW277.75 g/mol
LogP3.76
Rot. Bonds4

About N-(2-butan-2-ylpyrazol-3-yl)-2-chlorobenzamide

N-(2-butan-2-ylpyrazol-3-yl)-2-chlorobenzamide (PubChem CID 78793939) has the molecular formula C14H16ClN3O and a molecular weight of 277.75 g/mol. Its IUPAC name is N-(2-butan-2-ylpyrazol-3-yl)-2-chlorobenzamide.

Molecular Properties

Compound NameN-(2-butan-2-ylpyrazol-3-yl)-2-chlorobenzamide
PubChem CID78793939
Molecular FormulaC14H16ClN3O
Molecular Weight277.75 g/mol
Exact Mass277.10
IUPAC NameN-(2-butan-2-ylpyrazol-3-yl)-2-chlorobenzamide
SMILESCCC(C)n1nccc1NC(=O)c1ccccc1Cl
InChIInChI=1S/C14H16ClN3O/c1-3-10(2)18-13(8-9-16-18)17-14(19)11-6-4-5-7-12(11)15/h4-10H,3H2,1-2H3,(H,17,19)
InChIKeyRILOSHDLCZMLFP-UHFFFAOYSA-N
XLogP3.76
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.75
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-bromo-N-(2-butan-2-ylpyrazol-3-yl)benzamide
CID 78778624
N-(2-butan-2-ylpyrazol-3-yl)-3,5-dichloro-4-methoxybenzamide
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2-chloro-N-[2-[(2-propan-2-ylpyrazol-3-yl)carbamoylamino]ethyl]benzamide
CID 72868922
N-(2-butan-2-ylpyrazol-3-yl)-4-methoxybenzamide
CID 56725907
N-(2-butan-2-ylpyrazol-3-yl)thiophene-3-carboxamide
CID 134025810
N-(2-butan-2-ylpyrazol-3-yl)-2-methoxypropanamide
CID 87023937
N-(2-butan-2-ylpyrazol-3-yl)-4-(difluoromethylsulfanyl)benzamide
CID 134025818
N-(2-butan-2-ylpyrazol-3-yl)-3-hydroxy-3-phenylbutanamide
CID 110025212
N-(2-butan-2-ylpyrazol-3-yl)-3,4,5-triethoxybenzamide
CID 78778639
N-(2-butan-2-ylpyrazol-3-yl)-2-(1,3-dioxoisoindol-2-yl)acetamide
CID 78778329
2-chloro-N-[2-(1-ethylpiperidin-4-yl)pyrazol-3-yl]benzamide
CID 24793136
(2S)-N-[2-[(2S)-butan-2-yl]pyrazol-3-yl]-2-[[5-(2-chlorophenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]propanamide
CID 7690262

Frequently Asked Questions

What is the IUPAC name of N-(2-butan-2-ylpyrazol-3-yl)-2-chlorobenzamide?
The IUPAC name of N-(2-butan-2-ylpyrazol-3-yl)-2-chlorobenzamide (CID 78793939) is N-(2-butan-2-ylpyrazol-3-yl)-2-chlorobenzamide.
What is the SMILES notation for N-(2-butan-2-ylpyrazol-3-yl)-2-chlorobenzamide?
The canonical SMILES for N-(2-butan-2-ylpyrazol-3-yl)-2-chlorobenzamide is CCC(C)n1nccc1NC(=O)c1ccccc1Cl.
What is the InChIKey of N-(2-butan-2-ylpyrazol-3-yl)-2-chlorobenzamide?
The InChIKey is RILOSHDLCZMLFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16ClN3O/c1-3-10(2)18-13(8-9-16-18)17-14(19)11-6-4-5-7-12(11)15/h4-10H,3H2,1-2H3,(H,17,19).
What are the key properties of N-(2-butan-2-ylpyrazol-3-yl)-2-chlorobenzamide?
N-(2-butan-2-ylpyrazol-3-yl)-2-chlorobenzamide has a molecular weight of 277.75 g/mol, XLogP of 3.76, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-butan-2-ylpyrazol-3-yl)-2-chlorobenzamide is sourced from PubChem (CID 78793939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).