N-butan-2-yl-4-chloro-1-ethyl-3-methylpyrazole-5-carboxamide

C11H18ClN3O — CID 75767585

IUPACN-butan-2-yl-4-chloro-1-ethyl-3-methylpyrazole-5-carboxamide
SMILESCCC(C)NC(=O)c1c(Cl)c(C)nn1CC
InChIInChI=1S/C11H18ClN3O/c1-5-7(3)13-11(16)10-9(12)8(4)14-15(10)6-2/h7H,5-6H2,1-4H3,(H,13,16)
InChIKeyLBHOAIXARVLTGW-UHFFFAOYSA-N
MW243.74 g/mol
LogP2.39
Rot. Bonds4

About N-butan-2-yl-4-chloro-1-ethyl-3-methylpyrazole-5-carboxamide

N-butan-2-yl-4-chloro-1-ethyl-3-methylpyrazole-5-carboxamide (PubChem CID 75767585) has the molecular formula C11H18ClN3O and a molecular weight of 243.74 g/mol. Its IUPAC name is N-butan-2-yl-4-chloro-1-ethyl-3-methylpyrazole-5-carboxamide.

Molecular Properties

Compound NameN-butan-2-yl-4-chloro-1-ethyl-3-methylpyrazole-5-carboxamide
PubChem CID75767585
Molecular FormulaC11H18ClN3O
Molecular Weight243.74 g/mol
Exact Mass243.11
IUPAC NameN-butan-2-yl-4-chloro-1-ethyl-3-methylpyrazole-5-carboxamide
SMILESCCC(C)NC(=O)c1c(Cl)c(C)nn1CC
InChIInChI=1S/C11H18ClN3O/c1-5-7(3)13-11(16)10-9(12)8(4)14-15(10)6-2/h7H,5-6H2,1-4H3,(H,13,16)
InChIKeyLBHOAIXARVLTGW-UHFFFAOYSA-N
XLogP2.39
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 ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-butan-2-yl-2-(4-chloro-3,5-dimethylpyrazol-1-yl)acetamide
CID 19525213
4-amino-N-[1-(dimethylamino)propan-2-yl]-1-ethyl-3-methylpyrazole-5-carboxamide
CID 82944743
4-amino-N-(1-cyclopropylpropan-2-yl)-1-ethyl-3-methylpyrazole-5-carboxamide
CID 66123131
4-amino-1-ethyl-N-(3-ethylpentan-2-yl)-3-methylpyrazole-5-carboxamide
CID 66125647
4-chloro-N-[1-[di(propan-2-yl)amino]propan-2-yl]-1,3-dimethylpyrazole-5-carboxamide
CID 17020877
4-chloro-N-[(1S)-1-(2-ethyl-1,2,4-triazol-3-yl)ethyl]-1,3-dimethylpyrazole-5-carboxamide
CID 126448966
4-chloro-N-[(1R)-1-(2-ethyl-1,2,4-triazol-3-yl)ethyl]-1,3-dimethylpyrazole-5-carboxamide
CID 126448965
4-chloro-1,3-dimethyl-N-[(2R)-1-morpholin-4-ylpropan-2-yl]pyrazole-5-carboxamide
CID 28559619
N-butan-2-yl-4-chloro-1-methylpyrazole-3-carboxamide
CID 19263653
4-amino-1-ethyl-3-methyl-N-(1-pyrazol-1-ylpropan-2-yl)pyrazole-5-carboxamide
CID 66123889
[1-(butan-2-ylamino)-1-oxopropan-2-yl] 4-amino-1-ethyl-3-methylpyrazole-5-carboxylate
CID 66124501
3-amino-N-butan-2-yl-1-ethylpyrazole-5-carboxamide
CID 122171294

Frequently Asked Questions

What is the IUPAC name of N-butan-2-yl-4-chloro-1-ethyl-3-methylpyrazole-5-carboxamide?
The IUPAC name of N-butan-2-yl-4-chloro-1-ethyl-3-methylpyrazole-5-carboxamide (CID 75767585) is N-butan-2-yl-4-chloro-1-ethyl-3-methylpyrazole-5-carboxamide.
What is the SMILES notation for N-butan-2-yl-4-chloro-1-ethyl-3-methylpyrazole-5-carboxamide?
The canonical SMILES for N-butan-2-yl-4-chloro-1-ethyl-3-methylpyrazole-5-carboxamide is CCC(C)NC(=O)c1c(Cl)c(C)nn1CC.
What is the InChIKey of N-butan-2-yl-4-chloro-1-ethyl-3-methylpyrazole-5-carboxamide?
The InChIKey is LBHOAIXARVLTGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18ClN3O/c1-5-7(3)13-11(16)10-9(12)8(4)14-15(10)6-2/h7H,5-6H2,1-4H3,(H,13,16).
What are the key properties of N-butan-2-yl-4-chloro-1-ethyl-3-methylpyrazole-5-carboxamide?
N-butan-2-yl-4-chloro-1-ethyl-3-methylpyrazole-5-carboxamide has a molecular weight of 243.74 g/mol, XLogP of 2.39, 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-4-chloro-1-ethyl-3-methylpyrazole-5-carboxamide is sourced from PubChem (CID 75767585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).