1-ethyl-3,5-dimethyl-N-propylpyrazole-4-carboxamide

C11H19N3O — CID 19472103

IUPAC1-ethyl-3,5-dimethyl-N-propylpyrazole-4-carboxamide
SMILESCCCNC(=O)c1c(C)nn(CC)c1C
InChIInChI=1S/C11H19N3O/c1-5-7-12-11(15)10-8(3)13-14(6-2)9(10)4/h5-7H2,1-4H3,(H,12,15)
InChIKeyADBPJRUONDTLAN-UHFFFAOYSA-N
MW209.29 g/mol
LogP1.66
Rot. Bonds4

About 1-ethyl-3,5-dimethyl-N-propylpyrazole-4-carboxamide

1-ethyl-3,5-dimethyl-N-propylpyrazole-4-carboxamide (PubChem CID 19472103) has the molecular formula C11H19N3O and a molecular weight of 209.29 g/mol. Its IUPAC name is 1-ethyl-3,5-dimethyl-N-propylpyrazole-4-carboxamide.

Molecular Properties

Compound Name1-ethyl-3,5-dimethyl-N-propylpyrazole-4-carboxamide
PubChem CID19472103
Molecular FormulaC11H19N3O
Molecular Weight209.29 g/mol
Exact Mass209.15
IUPAC Name1-ethyl-3,5-dimethyl-N-propylpyrazole-4-carboxamide
SMILESCCCNC(=O)c1c(C)nn(CC)c1C
InChIInChI=1S/C11H19N3O/c1-5-7-12-11(15)10-8(3)13-14(6-2)9(10)4/h5-7H2,1-4H3,(H,12,15)
InChIKeyADBPJRUONDTLAN-UHFFFAOYSA-N
XLogP1.66
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.29
LogP ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-ethyl-3,5-dimethyl-N-[2-(tetrazol-1-yl)ethyl]pyrazole-4-carboxamide
CID 118790638
1-ethyl-3,5-dimethyl-N-[3-(5-methylpyrazol-1-yl)propyl]pyrazole-4-carboxamide
CID 19472186
7-[(3,5-dimethyl-1-propylpyrazole-4-carbonyl)amino]heptanoic acid
CID 119350682
2-[(1-ethyl-3,5-dimethylpyrazole-4-carbonyl)amino]butanoic acid
CID 119223425
5-[[(1-ethyl-3,5-dimethylpyrazole-4-carbonyl)amino]methyl]furan-2-carboxylic acid
CID 119245798
1-ethyl-N-[2-(4-fluorophenyl)propyl]-3,5-dimethylpyrazole-4-carboxamide
CID 110279442
N-(2-amino-2-ethylbutyl)-3,5-dimethyl-1-propylpyrazole-4-carboxamide
CID 119643471
3-[(1-ethyl-3,5-dimethylpyrazole-4-carbonyl)amino]-4-methylbenzoic acid
CID 119219348
1-ethyl-3,5-dimethyl-N-(5-methyl-1,3-thiazol-2-yl)pyrazole-4-carboxamide
CID 35335785
1-ethyl-3,6-dimethyl-N-propylpyrazolo[3,4-b]pyridine-4-carboxamide
CID 35532740
3,5-dimethyl-1-[(4-methylphenyl)methyl]-N-[(2S)-1-oxo-1-(propylamino)propan-2-yl]pyrazole-4-carboxamide
CID 9227751
1-benzyl-3,5-dimethyl-N-[1-oxo-1-(propylamino)propan-2-yl]pyrazole-4-carboxamide
CID 46612646

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-3,5-dimethyl-N-propylpyrazole-4-carboxamide?
The IUPAC name of 1-ethyl-3,5-dimethyl-N-propylpyrazole-4-carboxamide (CID 19472103) is 1-ethyl-3,5-dimethyl-N-propylpyrazole-4-carboxamide.
What is the SMILES notation for 1-ethyl-3,5-dimethyl-N-propylpyrazole-4-carboxamide?
The canonical SMILES for 1-ethyl-3,5-dimethyl-N-propylpyrazole-4-carboxamide is CCCNC(=O)c1c(C)nn(CC)c1C.
What is the InChIKey of 1-ethyl-3,5-dimethyl-N-propylpyrazole-4-carboxamide?
The InChIKey is ADBPJRUONDTLAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O/c1-5-7-12-11(15)10-8(3)13-14(6-2)9(10)4/h5-7H2,1-4H3,(H,12,15).
What are the key properties of 1-ethyl-3,5-dimethyl-N-propylpyrazole-4-carboxamide?
1-ethyl-3,5-dimethyl-N-propylpyrazole-4-carboxamide has a molecular weight of 209.29 g/mol, XLogP of 1.66, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-3,5-dimethyl-N-propylpyrazole-4-carboxamide is sourced from PubChem (CID 19472103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).