2-(4-chloro-5-methylpyrazol-1-yl)-N-[3-(dimethylamino)propyl]acetamide

C11H19ClN4O — CID 19520643

IUPAC2-(4-chloro-5-methylpyrazol-1-yl)-N-[3-(dimethylamino)propyl]acetamide
SMILESCc1c(Cl)cnn1CC(=O)NCCCN(C)C
InChIInChI=1S/C11H19ClN4O/c1-9-10(12)7-14-16(9)8-11(17)13-5-4-6-15(2)3/h7H,4-6,8H2,1-3H3,(H,13,17)
InChIKeyCXMMLNCNGDSSKF-UHFFFAOYSA-N
MW258.75 g/mol
LogP0.91
Rot. Bonds6

About 2-(4-chloro-5-methylpyrazol-1-yl)-N-[3-(dimethylamino)propyl]acetamide

2-(4-chloro-5-methylpyrazol-1-yl)-N-[3-(dimethylamino)propyl]acetamide (PubChem CID 19520643) has the molecular formula C11H19ClN4O and a molecular weight of 258.75 g/mol. Its IUPAC name is 2-(4-chloro-5-methylpyrazol-1-yl)-N-[3-(dimethylamino)propyl]acetamide.

Molecular Properties

Compound Name2-(4-chloro-5-methylpyrazol-1-yl)-N-[3-(dimethylamino)propyl]acetamide
PubChem CID19520643
Molecular FormulaC11H19ClN4O
Molecular Weight258.75 g/mol
Exact Mass258.12
IUPAC Name2-(4-chloro-5-methylpyrazol-1-yl)-N-[3-(dimethylamino)propyl]acetamide
SMILESCc1c(Cl)cnn1CC(=O)NCCCN(C)C
InChIInChI=1S/C11H19ClN4O/c1-9-10(12)7-14-16(9)8-11(17)13-5-4-6-15(2)3/h7H,4-6,8H2,1-3H3,(H,13,17)
InChIKeyCXMMLNCNGDSSKF-UHFFFAOYSA-N
XLogP0.91
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.75
LogP ≤ 50.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-(4-chloro-5-methylpyrazol-1-yl)-N-[3-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propyl]acetamide
CID 19520695
4-[3-(4-chloro-5-methylpyrazol-1-yl)propanoylamino]butanoyl chloride
CID 19552342
2-(4-chloroindazol-1-yl)-N-[2-(dimethylamino)ethyl]acetamide
CID 6625503
3-(4-chloro-5-methylpyrazol-1-yl)-N-[2-(diethylamino)ethyl]propanamide
CID 19554051
2-(4-chloro-5-methylpyrazol-1-yl)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]acetamide
CID 19282269
2-(4-chloro-5-methylpyrazol-1-yl)-N-(2,3,4,5,6-pentafluorophenyl)acetamide
CID 19520612
2-(4-chloro-5-methylpyrazol-1-yl)-N-[(1-methylpyrazol-3-yl)methyl]acetamide
CID 19330844
3-(4-chloro-5-methylpyrazol-1-yl)-N-[3-(4-chloropyrazol-1-yl)propyl]propanamide
CID 19554002
1-[(4-chloro-1-ethylpyrazol-5-yl)methyl]-3-[3-(dimethylamino)propyl]thiourea
CID 19327050
2-(4-chloro-5-methylpyrazol-1-yl)-N-(1,3,5-trimethylpyrazol-4-yl)acetamide
CID 19393480
N-(3-chloro-2-methylphenyl)-2-(4-chloro-5-methylpyrazol-1-yl)acetamide
CID 19520530
ethyl 2-(4-chloro-5-methylpyrazol-1-yl)acetate
CID 59813966

Frequently Asked Questions

What is the IUPAC name of 2-(4-chloro-5-methylpyrazol-1-yl)-N-[3-(dimethylamino)propyl]acetamide?
The IUPAC name of 2-(4-chloro-5-methylpyrazol-1-yl)-N-[3-(dimethylamino)propyl]acetamide (CID 19520643) is 2-(4-chloro-5-methylpyrazol-1-yl)-N-[3-(dimethylamino)propyl]acetamide.
What is the SMILES notation for 2-(4-chloro-5-methylpyrazol-1-yl)-N-[3-(dimethylamino)propyl]acetamide?
The canonical SMILES for 2-(4-chloro-5-methylpyrazol-1-yl)-N-[3-(dimethylamino)propyl]acetamide is Cc1c(Cl)cnn1CC(=O)NCCCN(C)C.
What is the InChIKey of 2-(4-chloro-5-methylpyrazol-1-yl)-N-[3-(dimethylamino)propyl]acetamide?
The InChIKey is CXMMLNCNGDSSKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19ClN4O/c1-9-10(12)7-14-16(9)8-11(17)13-5-4-6-15(2)3/h7H,4-6,8H2,1-3H3,(H,13,17).
What are the key properties of 2-(4-chloro-5-methylpyrazol-1-yl)-N-[3-(dimethylamino)propyl]acetamide?
2-(4-chloro-5-methylpyrazol-1-yl)-N-[3-(dimethylamino)propyl]acetamide has a molecular weight of 258.75 g/mol, XLogP of 0.91, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chloro-5-methylpyrazol-1-yl)-N-[3-(dimethylamino)propyl]acetamide is sourced from PubChem (CID 19520643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).