N-(1-aminopropan-2-yl)-4-[(3,5-dimethylpyrazol-1-yl)methyl]-N-methylbenzamide;hydrochloride

C17H25ClN4O — CID 119581708

IUPACN-(1-aminopropan-2-yl)-4-[(3,5-dimethylpyrazol-1-yl)methyl]-N-methylbenzamide;hydrochloride
SMILESCc1cc(C)n(Cc2ccc(C(=O)N(C)C(C)CN)cc2)n1.Cl
InChIInChI=1S/C17H24N4O.ClH/c1-12-9-13(2)21(19-12)11-15-5-7-16(8-6-15)17(22)20(4)14(3)10-18;/h5-9,14H,10-11,18H2,1-4H3;1H
InChIKeyJQBQCHSBJHIEKS-UHFFFAOYSA-N
MW336.87 g/mol
LogP2.39
Rot. Bonds5

About N-(1-aminopropan-2-yl)-4-[(3,5-dimethylpyrazol-1-yl)methyl]-N-methylbenzamide;hydrochloride

N-(1-aminopropan-2-yl)-4-[(3,5-dimethylpyrazol-1-yl)methyl]-N-methylbenzamide;hydrochloride (PubChem CID 119581708) has the molecular formula C17H25ClN4O and a molecular weight of 336.87 g/mol. Its IUPAC name is N-(1-aminopropan-2-yl)-4-[(3,5-dimethylpyrazol-1-yl)methyl]-N-methylbenzamide;hydrochloride.

Molecular Properties

Compound NameN-(1-aminopropan-2-yl)-4-[(3,5-dimethylpyrazol-1-yl)methyl]-N-methylbenzamide;hydrochloride
PubChem CID119581708
Molecular FormulaC17H25ClN4O
Molecular Weight336.87 g/mol
Exact Mass336.17
IUPAC NameN-(1-aminopropan-2-yl)-4-[(3,5-dimethylpyrazol-1-yl)methyl]-N-methylbenzamide;hydrochloride
SMILESCc1cc(C)n(Cc2ccc(C(=O)N(C)C(C)CN)cc2)n1.Cl
InChIInChI=1S/C17H24N4O.ClH/c1-12-9-13(2)21(19-12)11-15-5-7-16(8-6-15)17(22)20(4)14(3)10-18;/h5-9,14H,10-11,18H2,1-4H3;1H
InChIKeyJQBQCHSBJHIEKS-UHFFFAOYSA-N
XLogP2.39
TPSA64.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.87
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[(3,5-dimethylpyrazol-1-yl)methyl]-N-methyl-N-[(1S)-1-pyridin-2-ylethyl]benzamide
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4-[(3,5-dimethylpyrazol-1-yl)methyl]-N-[(1-ethylpyrazol-3-yl)methyl]-N-methylbenzamide
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4-[(3,5-dimethylpyrazol-1-yl)methyl]-N-pentan-2-ylbenzamide
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4-[(3,5-dimethylpyrazol-1-yl)methyl]-N-(4-methylsulfonylphenyl)-N-propan-2-ylbenzamide
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4-[(3,5-dimethylpyrazol-1-yl)methyl]-N-(4-hydroxy-2,2-dimethylpentyl)benzamide
CID 111480687
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4-[(3,5-dimethylpyrazol-1-yl)methyl]-N-methyl-N-(pyridin-2-ylmethyl)benzamide
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CID 45123702
N-(2,1,3-benzoxadiazol-5-ylmethyl)-4-[(3,5-dimethylpyrazol-1-yl)methyl]-N-methylbenzamide
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Frequently Asked Questions

What is the IUPAC name of N-(1-aminopropan-2-yl)-4-[(3,5-dimethylpyrazol-1-yl)methyl]-N-methylbenzamide;hydrochloride?
The IUPAC name of N-(1-aminopropan-2-yl)-4-[(3,5-dimethylpyrazol-1-yl)methyl]-N-methylbenzamide;hydrochloride (CID 119581708) is N-(1-aminopropan-2-yl)-4-[(3,5-dimethylpyrazol-1-yl)methyl]-N-methylbenzamide;hydrochloride.
What is the SMILES notation for N-(1-aminopropan-2-yl)-4-[(3,5-dimethylpyrazol-1-yl)methyl]-N-methylbenzamide;hydrochloride?
The canonical SMILES for N-(1-aminopropan-2-yl)-4-[(3,5-dimethylpyrazol-1-yl)methyl]-N-methylbenzamide;hydrochloride is Cc1cc(C)n(Cc2ccc(C(=O)N(C)C(C)CN)cc2)n1.Cl.
What is the InChIKey of N-(1-aminopropan-2-yl)-4-[(3,5-dimethylpyrazol-1-yl)methyl]-N-methylbenzamide;hydrochloride?
The InChIKey is JQBQCHSBJHIEKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N4O.ClH/c1-12-9-13(2)21(19-12)11-15-5-7-16(8-6-15)17(22)20(4)14(3)10-18;/h5-9,14H,10-11,18H2,1-4H3;1H.
What are the key properties of N-(1-aminopropan-2-yl)-4-[(3,5-dimethylpyrazol-1-yl)methyl]-N-methylbenzamide;hydrochloride?
N-(1-aminopropan-2-yl)-4-[(3,5-dimethylpyrazol-1-yl)methyl]-N-methylbenzamide;hydrochloride has a molecular weight of 336.87 g/mol, XLogP of 2.39, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-aminopropan-2-yl)-4-[(3,5-dimethylpyrazol-1-yl)methyl]-N-methylbenzamide;hydrochloride is sourced from PubChem (CID 119581708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).