N-[2-(dimethylamino)ethyl]-1-methyl-5-propan-2-ylpyrazole-4-carboxamide

C12H22N4O — CID 42669803

IUPACN-[2-(dimethylamino)ethyl]-1-methyl-5-propan-2-ylpyrazole-4-carboxamide
SMILESCC(C)c1c(C(=O)NCCN(C)C)cnn1C
InChIInChI=1S/C12H22N4O/c1-9(2)11-10(8-14-16(11)5)12(17)13-6-7-15(3)4/h8-9H,6-7H2,1-5H3,(H,13,17)
InChIKeyBOQFWGPDQNKBCE-UHFFFAOYSA-N
MW238.33 g/mol
LogP0.83
Rot. Bonds5

About N-[2-(dimethylamino)ethyl]-1-methyl-5-propan-2-ylpyrazole-4-carboxamide

N-[2-(dimethylamino)ethyl]-1-methyl-5-propan-2-ylpyrazole-4-carboxamide (PubChem CID 42669803) has the molecular formula C12H22N4O and a molecular weight of 238.33 g/mol. Its IUPAC name is N-[2-(dimethylamino)ethyl]-1-methyl-5-propan-2-ylpyrazole-4-carboxamide.

Molecular Properties

Compound NameN-[2-(dimethylamino)ethyl]-1-methyl-5-propan-2-ylpyrazole-4-carboxamide
PubChem CID42669803
Molecular FormulaC12H22N4O
Molecular Weight238.33 g/mol
Exact Mass238.18
IUPAC NameN-[2-(dimethylamino)ethyl]-1-methyl-5-propan-2-ylpyrazole-4-carboxamide
SMILESCC(C)c1c(C(=O)NCCN(C)C)cnn1C
InChIInChI=1S/C12H22N4O/c1-9(2)11-10(8-14-16(11)5)12(17)13-6-7-15(3)4/h8-9H,6-7H2,1-5H3,(H,13,17)
InChIKeyBOQFWGPDQNKBCE-UHFFFAOYSA-N
XLogP0.83
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.33
LogP ≤ 50.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[1-(4-Aminocyclohexyl)-5-methylpyrazol-4-yl]butan-1-one
CID 90105500
2-(1-(tert-butyl)-4-isopropyl-7-oxo-1H-pyrazolo[3,4-d]pyridazin-6(7H)-yl)-N-methylacetamide
CID 44037111
2-(1-(tert-butyl)-4-isopropyl-7-oxo-1H-pyrazolo[3,4-d]pyridazin-6(7H)-yl)-N-propylacetamide
CID 44037112
4-(1-Tert-butyl-5-ethylpyrazole-4-carbonyl)piperazin-2-one
CID 45830695
N-[1-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethyl]-5-methyl-1-propylpyrazole-4-carboxamide
CID 46968232
2-[1-(1-Tert-butyl-5-ethylpyrazole-4-carbonyl)piperidin-4-yl]acetamide
CID 53511115
2-[4-(1-Tert-butyl-5-ethylpyrazole-4-carbonyl)piperazin-1-yl]acetamide
CID 53526983
(1-Tert-butyl-5-ethylpyrazol-4-yl)-[3-(dimethylamino)piperidin-1-yl]methanone
CID 53541073
(5-ethyl-1H-pyrazol-4-yl)-[3-(4-methylpyrazol-1-yl)piperidin-1-yl]methanone
CID 53564631
(5-ethyl-1H-pyrazol-4-yl)-[4-[(1-propan-2-ylpyrazol-4-yl)methyl]-1,4-diazepan-1-yl]methanone
CID 53609390
(5-ethyl-1H-pyrazol-4-yl)-[4-[(1-methylpyrazol-4-yl)methyl]-1,4-diazepan-1-yl]methanone
CID 53615061
1-[4-(1-Tert-butyl-5-ethylpyrazole-4-carbonyl)-1,4-diazepan-1-yl]ethanone
CID 56817790

Frequently Asked Questions

What is the IUPAC name of N-[2-(dimethylamino)ethyl]-1-methyl-5-propan-2-ylpyrazole-4-carboxamide?
The IUPAC name of N-[2-(dimethylamino)ethyl]-1-methyl-5-propan-2-ylpyrazole-4-carboxamide (CID 42669803) is N-[2-(dimethylamino)ethyl]-1-methyl-5-propan-2-ylpyrazole-4-carboxamide.
What is the SMILES notation for N-[2-(dimethylamino)ethyl]-1-methyl-5-propan-2-ylpyrazole-4-carboxamide?
The canonical SMILES for N-[2-(dimethylamino)ethyl]-1-methyl-5-propan-2-ylpyrazole-4-carboxamide is CC(C)c1c(C(=O)NCCN(C)C)cnn1C.
What is the InChIKey of N-[2-(dimethylamino)ethyl]-1-methyl-5-propan-2-ylpyrazole-4-carboxamide?
The InChIKey is BOQFWGPDQNKBCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N4O/c1-9(2)11-10(8-14-16(11)5)12(17)13-6-7-15(3)4/h8-9H,6-7H2,1-5H3,(H,13,17).
What are the key properties of N-[2-(dimethylamino)ethyl]-1-methyl-5-propan-2-ylpyrazole-4-carboxamide?
N-[2-(dimethylamino)ethyl]-1-methyl-5-propan-2-ylpyrazole-4-carboxamide has a molecular weight of 238.33 g/mol, XLogP of 0.83, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(dimethylamino)ethyl]-1-methyl-5-propan-2-ylpyrazole-4-carboxamide is sourced from PubChem (CID 42669803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).