N-(4-chloro-5-methyl-1H-pyrazol-3-yl)-2-methylpropanamide

C8H12ClN3O — CID 127000205

IUPACN-(4-chloro-5-methyl-1H-pyrazol-3-yl)-2-methylpropanamide
SMILESCc1[nH]nc(NC(=O)C(C)C)c1Cl
InChIInChI=1S/C8H12ClN3O/c1-4(2)8(13)10-7-6(9)5(3)11-12-7/h4H,1-3H3,(H2,10,11,12,13)
InChIKeyHJOWABZATUCGMD-UHFFFAOYSA-N
MW201.66 g/mol
LogP1.97
Rot. Bonds2

About N-(4-chloro-5-methyl-1H-pyrazol-3-yl)-2-methylpropanamide

N-(4-chloro-5-methyl-1H-pyrazol-3-yl)-2-methylpropanamide (PubChem CID 127000205) has the molecular formula C8H12ClN3O and a molecular weight of 201.66 g/mol. Its IUPAC name is N-(4-chloro-5-methyl-1H-pyrazol-3-yl)-2-methylpropanamide.

Molecular Properties

Compound NameN-(4-chloro-5-methyl-1H-pyrazol-3-yl)-2-methylpropanamide
PubChem CID127000205
Molecular FormulaC8H12ClN3O
Molecular Weight201.66 g/mol
Exact Mass201.07
IUPAC NameN-(4-chloro-5-methyl-1H-pyrazol-3-yl)-2-methylpropanamide
SMILESCc1[nH]nc(NC(=O)C(C)C)c1Cl
InChIInChI=1S/C8H12ClN3O/c1-4(2)8(13)10-7-6(9)5(3)11-12-7/h4H,1-3H3,(H2,10,11,12,13)
InChIKeyHJOWABZATUCGMD-UHFFFAOYSA-N
XLogP1.97
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.66
LogP ≤ 51.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(4-chloro-5-methyl-1H-pyrazol-3-yl)-2-methylpropanamide?
The IUPAC name of N-(4-chloro-5-methyl-1H-pyrazol-3-yl)-2-methylpropanamide (CID 127000205) is N-(4-chloro-5-methyl-1H-pyrazol-3-yl)-2-methylpropanamide.
What is the SMILES notation for N-(4-chloro-5-methyl-1H-pyrazol-3-yl)-2-methylpropanamide?
The canonical SMILES for N-(4-chloro-5-methyl-1H-pyrazol-3-yl)-2-methylpropanamide is Cc1[nH]nc(NC(=O)C(C)C)c1Cl.
What is the InChIKey of N-(4-chloro-5-methyl-1H-pyrazol-3-yl)-2-methylpropanamide?
The InChIKey is HJOWABZATUCGMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12ClN3O/c1-4(2)8(13)10-7-6(9)5(3)11-12-7/h4H,1-3H3,(H2,10,11,12,13).
What are the key properties of N-(4-chloro-5-methyl-1H-pyrazol-3-yl)-2-methylpropanamide?
N-(4-chloro-5-methyl-1H-pyrazol-3-yl)-2-methylpropanamide has a molecular weight of 201.66 g/mol, XLogP of 1.97, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chloro-5-methyl-1H-pyrazol-3-yl)-2-methylpropanamide is sourced from PubChem (CID 127000205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).