1-tert-butyl-5-methyl-N-[2-(methylamino)propyl]pyrazole-3-carboxamide;hydrochloride

C13H25ClN4O — CID 120828611

IUPAC1-tert-butyl-5-methyl-N-[2-(methylamino)propyl]pyrazole-3-carboxamide;hydrochloride
SMILESCNC(C)CNC(=O)c1cc(C)n(C(C)(C)C)n1.Cl
InChIInChI=1S/C13H24N4O.ClH/c1-9(14-6)8-15-12(18)11-7-10(2)17(16-11)13(3,4)5;/h7,9,14H,8H2,1-6H3,(H,15,18);1H
InChIKeyTXDLXEAFIPGYMZ-UHFFFAOYSA-N
MW288.82 g/mol
LogP1.71
Rot. Bonds4

About 1-tert-butyl-5-methyl-N-[2-(methylamino)propyl]pyrazole-3-carboxamide;hydrochloride

1-tert-butyl-5-methyl-N-[2-(methylamino)propyl]pyrazole-3-carboxamide;hydrochloride (PubChem CID 120828611) has the molecular formula C13H25ClN4O and a molecular weight of 288.82 g/mol. Its IUPAC name is 1-tert-butyl-5-methyl-N-[2-(methylamino)propyl]pyrazole-3-carboxamide;hydrochloride.

Molecular Properties

Compound Name1-tert-butyl-5-methyl-N-[2-(methylamino)propyl]pyrazole-3-carboxamide;hydrochloride
PubChem CID120828611
Molecular FormulaC13H25ClN4O
Molecular Weight288.82 g/mol
Exact Mass288.17
IUPAC Name1-tert-butyl-5-methyl-N-[2-(methylamino)propyl]pyrazole-3-carboxamide;hydrochloride
SMILESCNC(C)CNC(=O)c1cc(C)n(C(C)(C)C)n1.Cl
InChIInChI=1S/C13H24N4O.ClH/c1-9(14-6)8-15-12(18)11-7-10(2)17(16-11)13(3,4)5;/h7,9,14H,8H2,1-6H3,(H,15,18);1H
InChIKeyTXDLXEAFIPGYMZ-UHFFFAOYSA-N
XLogP1.71
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.82
LogP ≤ 51.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-3-[(1-tert-butyl-5-methylpyrazole-3-carbonyl)amino]-2-methylpropanoic acid
CID 97324548
1-tert-butyl-5-methyl-N-(1-methylsulfinylpropan-2-yl)pyrazole-3-carboxamide
CID 75454846
1-methyl-N-[2-(methylamino)propyl]-5-propan-2-ylpyrazole-3-carboxamide
CID 120828370
1-tert-butyl-N-[3-(2-hydroxyethoxy)propyl]-5-methylpyrazole-3-carboxamide
CID 110022431
1-tert-butyl-5-ethyl-N-[2-(methylamino)propyl]pyrazole-4-carboxamide
CID 120826921
N-[2-(methylamino)propyl]-1-propan-2-ylpyrazole-3-carboxamide
CID 120831813
1-tert-butyl-5-methyl-N-[(3-phenyl-1,2-oxazol-5-yl)methyl]pyrazole-3-carboxamide
CID 47056333
1-tert-butyl-5-methyl-N-[(1S)-1-(1,3-thiazol-2-yl)ethyl]pyrazole-3-carboxamide
CID 154760488
1-tert-butyl-N-[(2S)-6-[[4-(dimethylamino)quinazolin-2-yl]amino]-2-methylhexyl]-5-methylpyrazole-3-carboxamide
CID 142229984
N-[(1S)-2-amino-2-oxo-1-phenylethyl]-1-tert-butyl-5-methylpyrazole-3-carboxamide
CID 94035417
1-tert-butyl-N-[1-(2,4-dichloro-5-fluorophenyl)ethyl]-5-methylpyrazole-3-carboxamide
CID 112834271
2,5,7-trimethyl-N-[2-(methylamino)propyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;hydrochloride
CID 120831089

Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-5-methyl-N-[2-(methylamino)propyl]pyrazole-3-carboxamide;hydrochloride?
The IUPAC name of 1-tert-butyl-5-methyl-N-[2-(methylamino)propyl]pyrazole-3-carboxamide;hydrochloride (CID 120828611) is 1-tert-butyl-5-methyl-N-[2-(methylamino)propyl]pyrazole-3-carboxamide;hydrochloride.
What is the SMILES notation for 1-tert-butyl-5-methyl-N-[2-(methylamino)propyl]pyrazole-3-carboxamide;hydrochloride?
The canonical SMILES for 1-tert-butyl-5-methyl-N-[2-(methylamino)propyl]pyrazole-3-carboxamide;hydrochloride is CNC(C)CNC(=O)c1cc(C)n(C(C)(C)C)n1.Cl.
What is the InChIKey of 1-tert-butyl-5-methyl-N-[2-(methylamino)propyl]pyrazole-3-carboxamide;hydrochloride?
The InChIKey is TXDLXEAFIPGYMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N4O.ClH/c1-9(14-6)8-15-12(18)11-7-10(2)17(16-11)13(3,4)5;/h7,9,14H,8H2,1-6H3,(H,15,18);1H.
What are the key properties of 1-tert-butyl-5-methyl-N-[2-(methylamino)propyl]pyrazole-3-carboxamide;hydrochloride?
1-tert-butyl-5-methyl-N-[2-(methylamino)propyl]pyrazole-3-carboxamide;hydrochloride has a molecular weight of 288.82 g/mol, XLogP of 1.71, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-5-methyl-N-[2-(methylamino)propyl]pyrazole-3-carboxamide;hydrochloride is sourced from PubChem (CID 120828611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).