N-[3-(dimethylamino)propyl]-1-ethyl-3-methylpyrazole-4-carboxamide

C12H22N4O — CID 19474292

IUPACN-[3-(dimethylamino)propyl]-1-ethyl-3-methylpyrazole-4-carboxamide
SMILESCCn1cc(C(=O)NCCCN(C)C)c(C)n1
InChIInChI=1S/C12H22N4O/c1-5-16-9-11(10(2)14-16)12(17)13-7-6-8-15(3)4/h9H,5-8H2,1-4H3,(H,13,17)
InChIKeyVEAUKKYIMDYLQD-UHFFFAOYSA-N
MW238.33 g/mol
LogP0.89
Rot. Bonds6

About N-[3-(dimethylamino)propyl]-1-ethyl-3-methylpyrazole-4-carboxamide

N-[3-(dimethylamino)propyl]-1-ethyl-3-methylpyrazole-4-carboxamide (PubChem CID 19474292) has the molecular formula C12H22N4O and a molecular weight of 238.33 g/mol. Its IUPAC name is N-[3-(dimethylamino)propyl]-1-ethyl-3-methylpyrazole-4-carboxamide.

Molecular Properties

Compound NameN-[3-(dimethylamino)propyl]-1-ethyl-3-methylpyrazole-4-carboxamide
PubChem CID19474292
Molecular FormulaC12H22N4O
Molecular Weight238.33 g/mol
Exact Mass238.18
IUPAC NameN-[3-(dimethylamino)propyl]-1-ethyl-3-methylpyrazole-4-carboxamide
SMILESCCn1cc(C(=O)NCCCN(C)C)c(C)n1
InChIInChI=1S/C12H22N4O/c1-5-16-9-11(10(2)14-16)12(17)13-7-6-8-15(3)4/h9H,5-8H2,1-4H3,(H,13,17)
InChIKeyVEAUKKYIMDYLQD-UHFFFAOYSA-N
XLogP0.89
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.33
LogP ≤ 50.89
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

N-[3-(dimethylamino)propyl]-3-methyl-1-phenylpyrazole-4-carboxamide
CID 45285661
1-ethyl-3-methylpyrazole-4-carbohydrazide
CID 46318394
1-ethyl-N-[(4-fluorophenyl)methyl]-3-methylpyrazole-4-carboxamide
CID 4157405
N-[3-(dimethylamino)propyl]-2,4,5-trimethylbenzamide
CID 95970652
methyl 2-(1-ethyl-3-methylpyrazol-4-yl)-2-oxoacetate
CID 112616484
N-[3-(dimethylamino)propyl]-5-methyl-2H-triazole-4-carboxamide
CID 110691640
N-(1,3-benzodioxol-5-ylmethyl)-1-ethyl-3-methylpyrazole-4-carboxamide
CID 35763955
3-[(1-ethyl-3-methylpyrazole-4-carbonyl)amino]-2-(oxan-4-yl)propanoic acid
CID 167844223
N-(4-chlorobutyl)-1,3-dimethylpyrazole-4-carboxamide
CID 106845570
N-[3-(dimethylamino)propyl]-2-methyl-5-sulfanylbenzamide
CID 107021313
N-[3-(dimethylamino)propyl]-2,4-dimethylbenzamide
CID 19656256
N-(5-chloropyrazin-2-yl)-1-ethyl-3-methylpyrazole-4-carboxamide
CID 167751137

Frequently Asked Questions

What is the IUPAC name of N-[3-(dimethylamino)propyl]-1-ethyl-3-methylpyrazole-4-carboxamide?
The IUPAC name of N-[3-(dimethylamino)propyl]-1-ethyl-3-methylpyrazole-4-carboxamide (CID 19474292) is N-[3-(dimethylamino)propyl]-1-ethyl-3-methylpyrazole-4-carboxamide.
What is the SMILES notation for N-[3-(dimethylamino)propyl]-1-ethyl-3-methylpyrazole-4-carboxamide?
The canonical SMILES for N-[3-(dimethylamino)propyl]-1-ethyl-3-methylpyrazole-4-carboxamide is CCn1cc(C(=O)NCCCN(C)C)c(C)n1.
What is the InChIKey of N-[3-(dimethylamino)propyl]-1-ethyl-3-methylpyrazole-4-carboxamide?
The InChIKey is VEAUKKYIMDYLQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N4O/c1-5-16-9-11(10(2)14-16)12(17)13-7-6-8-15(3)4/h9H,5-8H2,1-4H3,(H,13,17).
What are the key properties of N-[3-(dimethylamino)propyl]-1-ethyl-3-methylpyrazole-4-carboxamide?
N-[3-(dimethylamino)propyl]-1-ethyl-3-methylpyrazole-4-carboxamide has a molecular weight of 238.33 g/mol, XLogP of 0.89, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(dimethylamino)propyl]-1-ethyl-3-methylpyrazole-4-carboxamide is sourced from PubChem (CID 19474292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).