N-butan-2-yl-2-(4-chloro-3,5-dimethylpyrazol-1-yl)acetamide

C11H18ClN3O — CID 19525213

IUPACN-butan-2-yl-2-(4-chloro-3,5-dimethylpyrazol-1-yl)acetamide
SMILESCCC(C)NC(=O)Cn1nc(C)c(Cl)c1C
InChIInChI=1S/C11H18ClN3O/c1-5-7(2)13-10(16)6-15-9(4)11(12)8(3)14-15/h7H,5-6H2,1-4H3,(H,13,16)
InChIKeyBTODEBHPTCMCTP-UHFFFAOYSA-N
MW243.74 g/mol
LogP2.07
Rot. Bonds4

About N-butan-2-yl-2-(4-chloro-3,5-dimethylpyrazol-1-yl)acetamide

N-butan-2-yl-2-(4-chloro-3,5-dimethylpyrazol-1-yl)acetamide (PubChem CID 19525213) has the molecular formula C11H18ClN3O and a molecular weight of 243.74 g/mol. Its IUPAC name is N-butan-2-yl-2-(4-chloro-3,5-dimethylpyrazol-1-yl)acetamide.

Molecular Properties

Compound NameN-butan-2-yl-2-(4-chloro-3,5-dimethylpyrazol-1-yl)acetamide
PubChem CID19525213
Molecular FormulaC11H18ClN3O
Molecular Weight243.74 g/mol
Exact Mass243.11
IUPAC NameN-butan-2-yl-2-(4-chloro-3,5-dimethylpyrazol-1-yl)acetamide
SMILESCCC(C)NC(=O)Cn1nc(C)c(Cl)c1C
InChIInChI=1S/C11H18ClN3O/c1-5-7(2)13-10(16)6-15-9(4)11(12)8(3)14-15/h7H,5-6H2,1-4H3,(H,13,16)
InChIKeyBTODEBHPTCMCTP-UHFFFAOYSA-N
XLogP2.07
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.74
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(2S)-butan-2-yl]-2-(4-chloro-5-methyl-3-nitropyrazol-1-yl)acetamide
CID 749073
2-[4-(aminomethyl)-3,5-dimethylpyrazol-1-yl]-N-butan-2-ylacetamide
CID 43647498
2-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-[(1S)-1-phenylethyl]acetamide
CID 7348161
2-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-[1-(3-hydroxycyclobutyl)propyl]acetamide
CID 91773530
N-butan-2-yl-4-chloro-1-ethyl-3-methylpyrazole-5-carboxamide
CID 75767585
2-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-[(1R)-1-(5-methyl-1H-1,2,4-triazol-3-yl)ethyl]acetamide
CID 125171072
2-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-(3-hydroxy-4-methylpentyl)acetamide
CID 111460706
N-(2-aminoethyl)-2-(4-chloro-3,5-dimethylpyrazol-1-yl)acetamide;hydrochloride
CID 119384557
2-(4-chloro-3,5-dimethylpyrazol-1-yl)-1-[3-(1-hydroxyethyl)pyrrolidin-1-yl]ethanone
CID 110023388
2-[3,5-dimethyl-4-[(propan-2-ylamino)methyl]pyrazol-1-yl]-N-pentan-2-ylacetamide
CID 61490053
N-[(2S)-butan-2-yl]-2-(4,5-dichloro-6-oxopyridazin-1-yl)acetamide
CID 2585062
2-(4-amino-3,5-dimethylpyrazol-1-yl)-N-(1-methylsulfanylpropan-2-yl)acetamide
CID 113472630

Frequently Asked Questions

What is the IUPAC name of N-butan-2-yl-2-(4-chloro-3,5-dimethylpyrazol-1-yl)acetamide?
The IUPAC name of N-butan-2-yl-2-(4-chloro-3,5-dimethylpyrazol-1-yl)acetamide (CID 19525213) is N-butan-2-yl-2-(4-chloro-3,5-dimethylpyrazol-1-yl)acetamide.
What is the SMILES notation for N-butan-2-yl-2-(4-chloro-3,5-dimethylpyrazol-1-yl)acetamide?
The canonical SMILES for N-butan-2-yl-2-(4-chloro-3,5-dimethylpyrazol-1-yl)acetamide is CCC(C)NC(=O)Cn1nc(C)c(Cl)c1C.
What is the InChIKey of N-butan-2-yl-2-(4-chloro-3,5-dimethylpyrazol-1-yl)acetamide?
The InChIKey is BTODEBHPTCMCTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18ClN3O/c1-5-7(2)13-10(16)6-15-9(4)11(12)8(3)14-15/h7H,5-6H2,1-4H3,(H,13,16).
What are the key properties of N-butan-2-yl-2-(4-chloro-3,5-dimethylpyrazol-1-yl)acetamide?
N-butan-2-yl-2-(4-chloro-3,5-dimethylpyrazol-1-yl)acetamide has a molecular weight of 243.74 g/mol, XLogP of 2.07, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-butan-2-yl-2-(4-chloro-3,5-dimethylpyrazol-1-yl)acetamide is sourced from PubChem (CID 19525213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).