1-methyl-N-[2-(methylamino)ethyl]-5-propan-2-ylpyrazole-3-carboxamide;hydrochloride

C11H21ClN4O — CID 119501561

IUPAC1-methyl-N-[2-(methylamino)ethyl]-5-propan-2-ylpyrazole-3-carboxamide;hydrochloride
SMILESCNCCNC(=O)c1cc(C(C)C)n(C)n1.Cl
InChIInChI=1S/C11H20N4O.ClH/c1-8(2)10-7-9(14-15(10)4)11(16)13-6-5-12-3;/h7-8,12H,5-6H2,1-4H3,(H,13,16);1H
InChIKeyTWIRHKWIDNEHIU-UHFFFAOYSA-N
MW260.77 g/mol
LogP0.91
Rot. Bonds5

About 1-methyl-N-[2-(methylamino)ethyl]-5-propan-2-ylpyrazole-3-carboxamide;hydrochloride

1-methyl-N-[2-(methylamino)ethyl]-5-propan-2-ylpyrazole-3-carboxamide;hydrochloride (PubChem CID 119501561) has the molecular formula C11H21ClN4O and a molecular weight of 260.77 g/mol. Its IUPAC name is 1-methyl-N-[2-(methylamino)ethyl]-5-propan-2-ylpyrazole-3-carboxamide;hydrochloride.

Molecular Properties

Compound Name1-methyl-N-[2-(methylamino)ethyl]-5-propan-2-ylpyrazole-3-carboxamide;hydrochloride
PubChem CID119501561
Molecular FormulaC11H21ClN4O
Molecular Weight260.77 g/mol
Exact Mass260.14
IUPAC Name1-methyl-N-[2-(methylamino)ethyl]-5-propan-2-ylpyrazole-3-carboxamide;hydrochloride
SMILESCNCCNC(=O)c1cc(C(C)C)n(C)n1.Cl
InChIInChI=1S/C11H20N4O.ClH/c1-8(2)10-7-9(14-15(10)4)11(16)13-6-5-12-3;/h7-8,12H,5-6H2,1-4H3,(H,13,16);1H
InChIKeyTWIRHKWIDNEHIU-UHFFFAOYSA-N
XLogP0.91
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.77
LogP ≤ 50.91
H-Bond Donors ≤ 52
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-aminopropyl)-1-methyl-5-propan-2-ylpyrazole-3-carboxamide;hydrochloride
CID 119406374
1-methyl-N-[2-(methylamino)propyl]-5-propan-2-ylpyrazole-3-carboxamide
CID 120828370
N-(3-amino-2-methylpropyl)-1-methyl-5-propan-2-ylpyrazole-3-carboxamide;hydrochloride
CID 119997570
2,2-dimethyl-3-[(1-methyl-5-propan-2-ylpyrazole-3-carbonyl)amino]propanoic acid
CID 119250261
1-methyl-N-(2-piperidin-3-ylethyl)-5-propan-2-ylpyrazole-3-carboxamide;hydrochloride
CID 119556680
N-[(1-hydroxycyclopentyl)methyl]-1-methyl-5-propan-2-ylpyrazole-3-carboxamide
CID 111560347
1-methyl-5-propan-2-yl-N-(pyrrolidin-2-ylmethyl)pyrazole-3-carboxamide;hydrochloride
CID 119511635
N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)-1-methyl-5-propan-2-ylpyrazole-3-carboxamide
CID 111560576
5-[[(1-methyl-5-propan-2-ylpyrazole-3-carbonyl)amino]methyl]thiophene-2-carboxylic acid
CID 122110541
2-[[(1-methyl-5-propan-2-ylpyrazole-3-carbonyl)amino]methyl]-1,3-thiazole-4-carboxylic acid
CID 119245279
N-(4-hydroxyphenyl)-1-methyl-5-propan-2-ylpyrazole-3-carboxamide
CID 75386647
1-methyl-N-[(2S)-4-methylpentan-2-yl]sulfonyl-5-propan-2-ylpyrazole-3-carboxamide
CID 97220044

Frequently Asked Questions

What is the IUPAC name of 1-methyl-N-[2-(methylamino)ethyl]-5-propan-2-ylpyrazole-3-carboxamide;hydrochloride?
The IUPAC name of 1-methyl-N-[2-(methylamino)ethyl]-5-propan-2-ylpyrazole-3-carboxamide;hydrochloride (CID 119501561) is 1-methyl-N-[2-(methylamino)ethyl]-5-propan-2-ylpyrazole-3-carboxamide;hydrochloride.
What is the SMILES notation for 1-methyl-N-[2-(methylamino)ethyl]-5-propan-2-ylpyrazole-3-carboxamide;hydrochloride?
The canonical SMILES for 1-methyl-N-[2-(methylamino)ethyl]-5-propan-2-ylpyrazole-3-carboxamide;hydrochloride is CNCCNC(=O)c1cc(C(C)C)n(C)n1.Cl.
What is the InChIKey of 1-methyl-N-[2-(methylamino)ethyl]-5-propan-2-ylpyrazole-3-carboxamide;hydrochloride?
The InChIKey is TWIRHKWIDNEHIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N4O.ClH/c1-8(2)10-7-9(14-15(10)4)11(16)13-6-5-12-3;/h7-8,12H,5-6H2,1-4H3,(H,13,16);1H.
What are the key properties of 1-methyl-N-[2-(methylamino)ethyl]-5-propan-2-ylpyrazole-3-carboxamide;hydrochloride?
1-methyl-N-[2-(methylamino)ethyl]-5-propan-2-ylpyrazole-3-carboxamide;hydrochloride has a molecular weight of 260.77 g/mol, XLogP of 0.91, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-N-[2-(methylamino)ethyl]-5-propan-2-ylpyrazole-3-carboxamide;hydrochloride is sourced from PubChem (CID 119501561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).