N-(3-amino-2-methylpropyl)-1-methyl-5-propan-2-ylpyrazole-3-carboxamide;hydrochloride

C12H23ClN4O — CID 119997570

IUPACN-(3-amino-2-methylpropyl)-1-methyl-5-propan-2-ylpyrazole-3-carboxamide;hydrochloride
SMILESCC(CN)CNC(=O)c1cc(C(C)C)n(C)n1.Cl
InChIInChI=1S/C12H22N4O.ClH/c1-8(2)11-5-10(15-16(11)4)12(17)14-7-9(3)6-13;/h5,8-9H,6-7,13H2,1-4H3,(H,14,17);1H
InChIKeyWFFVORHLXIEGMY-UHFFFAOYSA-N
MW274.80 g/mol
LogP1.29
Rot. Bonds5

About N-(3-amino-2-methylpropyl)-1-methyl-5-propan-2-ylpyrazole-3-carboxamide;hydrochloride

N-(3-amino-2-methylpropyl)-1-methyl-5-propan-2-ylpyrazole-3-carboxamide;hydrochloride (PubChem CID 119997570) has the molecular formula C12H23ClN4O and a molecular weight of 274.80 g/mol. Its IUPAC name is N-(3-amino-2-methylpropyl)-1-methyl-5-propan-2-ylpyrazole-3-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-(3-amino-2-methylpropyl)-1-methyl-5-propan-2-ylpyrazole-3-carboxamide;hydrochloride
PubChem CID119997570
Molecular FormulaC12H23ClN4O
Molecular Weight274.80 g/mol
Exact Mass274.16
IUPAC NameN-(3-amino-2-methylpropyl)-1-methyl-5-propan-2-ylpyrazole-3-carboxamide;hydrochloride
SMILESCC(CN)CNC(=O)c1cc(C(C)C)n(C)n1.Cl
InChIInChI=1S/C12H22N4O.ClH/c1-8(2)11-5-10(15-16(11)4)12(17)14-7-9(3)6-13;/h5,8-9H,6-7,13H2,1-4H3,(H,14,17);1H
InChIKeyWFFVORHLXIEGMY-UHFFFAOYSA-N
XLogP1.29
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.80
LogP ≤ 51.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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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
1-methyl-N-[2-(methylamino)ethyl]-5-propan-2-ylpyrazole-3-carboxamide;hydrochloride
CID 119501561
2,2-dimethyl-3-[(1-methyl-5-propan-2-ylpyrazole-3-carbonyl)amino]propanoic acid
CID 119250261
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-(3-amino-2-methylpropyl)-3-(1,3,5-trimethylpyrazol-4-yl)-1H-pyrazole-5-carboxamide
CID 119998304
N-(2-amino-2-phenylethyl)-1,5-dimethylpyrazole-3-carboxamide;hydrochloride
CID 119528413
1-methyl-N-(2-piperidin-3-ylethyl)-5-propan-2-ylpyrazole-3-carboxamide;hydrochloride
CID 119556680

Frequently Asked Questions

What is the IUPAC name of N-(3-amino-2-methylpropyl)-1-methyl-5-propan-2-ylpyrazole-3-carboxamide;hydrochloride?
The IUPAC name of N-(3-amino-2-methylpropyl)-1-methyl-5-propan-2-ylpyrazole-3-carboxamide;hydrochloride (CID 119997570) is N-(3-amino-2-methylpropyl)-1-methyl-5-propan-2-ylpyrazole-3-carboxamide;hydrochloride.
What is the SMILES notation for N-(3-amino-2-methylpropyl)-1-methyl-5-propan-2-ylpyrazole-3-carboxamide;hydrochloride?
The canonical SMILES for N-(3-amino-2-methylpropyl)-1-methyl-5-propan-2-ylpyrazole-3-carboxamide;hydrochloride is CC(CN)CNC(=O)c1cc(C(C)C)n(C)n1.Cl.
What is the InChIKey of N-(3-amino-2-methylpropyl)-1-methyl-5-propan-2-ylpyrazole-3-carboxamide;hydrochloride?
The InChIKey is WFFVORHLXIEGMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N4O.ClH/c1-8(2)11-5-10(15-16(11)4)12(17)14-7-9(3)6-13;/h5,8-9H,6-7,13H2,1-4H3,(H,14,17);1H.
What are the key properties of N-(3-amino-2-methylpropyl)-1-methyl-5-propan-2-ylpyrazole-3-carboxamide;hydrochloride?
N-(3-amino-2-methylpropyl)-1-methyl-5-propan-2-ylpyrazole-3-carboxamide;hydrochloride has a molecular weight of 274.80 g/mol, XLogP of 1.29, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-2-methylpropyl)-1-methyl-5-propan-2-ylpyrazole-3-carboxamide;hydrochloride is sourced from PubChem (CID 119997570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).