3-[[5-(dimethylamino)-1-methyl-3-propan-2-ylpyrazol-4-yl]methylamino]-N,N-dimethylpropanamide;hydrochloride

C15H30ClN5O — CID 51105445

IUPAC3-[[5-(dimethylamino)-1-methyl-3-propan-2-ylpyrazol-4-yl]methylamino]-N,N-dimethylpropanamide;hydrochloride
SMILESCC(C)c1nn(C)c(N(C)C)c1CNCCC(=O)N(C)C.Cl
InChIInChI=1S/C15H29N5O.ClH/c1-11(2)14-12(15(19(5)6)20(7)17-14)10-16-9-8-13(21)18(3)4;/h11,16H,8-10H2,1-7H3;1H
InChIKeyIGQRVIHSOWRBPD-UHFFFAOYSA-N
MW331.89 g/mol
LogP1.60
Rot. Bonds7

About 3-[[5-(dimethylamino)-1-methyl-3-propan-2-ylpyrazol-4-yl]methylamino]-N,N-dimethylpropanamide;hydrochloride

3-[[5-(dimethylamino)-1-methyl-3-propan-2-ylpyrazol-4-yl]methylamino]-N,N-dimethylpropanamide;hydrochloride (PubChem CID 51105445) has the molecular formula C15H30ClN5O and a molecular weight of 331.89 g/mol. Its IUPAC name is 3-[[5-(dimethylamino)-1-methyl-3-propan-2-ylpyrazol-4-yl]methylamino]-N,N-dimethylpropanamide;hydrochloride.

Molecular Properties

Compound Name3-[[5-(dimethylamino)-1-methyl-3-propan-2-ylpyrazol-4-yl]methylamino]-N,N-dimethylpropanamide;hydrochloride
PubChem CID51105445
Molecular FormulaC15H30ClN5O
Molecular Weight331.89 g/mol
Exact Mass331.21
IUPAC Name3-[[5-(dimethylamino)-1-methyl-3-propan-2-ylpyrazol-4-yl]methylamino]-N,N-dimethylpropanamide;hydrochloride
SMILESCC(C)c1nn(C)c(N(C)C)c1CNCCC(=O)N(C)C.Cl
InChIInChI=1S/C15H29N5O.ClH/c1-11(2)14-12(15(19(5)6)20(7)17-14)10-16-9-8-13(21)18(3)4;/h11,16H,8-10H2,1-7H3;1H
InChIKeyIGQRVIHSOWRBPD-UHFFFAOYSA-N
XLogP1.60
TPSA53.40 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.89
LogP ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-[[5-(Dimethylamino)-1-methyl-3-propan-2-ylpyrazol-4-yl]methylamino]azepan-2-one
CID 51104977
1-[4-[[5-(Dimethylamino)-1-methyl-3-propan-2-ylpyrazol-4-yl]methylamino]piperidin-1-yl]-2-methylpropan-1-one
CID 51104980
N-cyclohexyl-3-[[5-(dimethylamino)-1,3-dimethylpyrazol-4-yl]methylamino]propanamide
CID 51105188
N-cyclohexyl-3-[[5-(dimethylamino)-1-methyl-3-propan-2-ylpyrazol-4-yl]methylamino]propanamide
CID 51105189
N-cyclopentyl-3-[[5-(dimethylamino)-1,3-dimethylpyrazol-4-yl]methylamino]propanamide
CID 51105239
N-cyclopentyl-3-[[5-(dimethylamino)-1-methyl-3-propan-2-ylpyrazol-4-yl]methylamino]propanamide
CID 51105240
N,N-dimethyl-3-[(1-methyl-5-morpholin-4-yl-3-propan-2-ylpyrazol-4-yl)methylamino]propanamide
CID 51105444
3-[[5-(dimethylamino)-1-methyl-3-propan-2-ylpyrazol-4-yl]methylamino]-N,N-dimethylpropanamide
CID 51105446
4-[[5-(dimethylamino)-1-methyl-3-propan-2-ylpyrazol-4-yl]methylamino]-N-methylbutanamide
CID 53539239
4-[[5-(dimethylamino)-1,3-dimethylpyrazol-4-yl]methylamino]-N-methylbutanamide
CID 53539334
N-cyclopentyl-2-[[5-(dimethylamino)-1-methyl-3-propan-2-ylpyrazol-4-yl]methylamino]propanamide
CID 53540365
N-[3-[[5-(dimethylamino)-3-methyl-1-(2-methylpropyl)pyrazol-4-yl]methylamino]propyl]acetamide
CID 53584323

Frequently Asked Questions

What is the IUPAC name of 3-[[5-(dimethylamino)-1-methyl-3-propan-2-ylpyrazol-4-yl]methylamino]-N,N-dimethylpropanamide;hydrochloride?
The IUPAC name of 3-[[5-(dimethylamino)-1-methyl-3-propan-2-ylpyrazol-4-yl]methylamino]-N,N-dimethylpropanamide;hydrochloride (CID 51105445) is 3-[[5-(dimethylamino)-1-methyl-3-propan-2-ylpyrazol-4-yl]methylamino]-N,N-dimethylpropanamide;hydrochloride.
What is the SMILES notation for 3-[[5-(dimethylamino)-1-methyl-3-propan-2-ylpyrazol-4-yl]methylamino]-N,N-dimethylpropanamide;hydrochloride?
The canonical SMILES for 3-[[5-(dimethylamino)-1-methyl-3-propan-2-ylpyrazol-4-yl]methylamino]-N,N-dimethylpropanamide;hydrochloride is CC(C)c1nn(C)c(N(C)C)c1CNCCC(=O)N(C)C.Cl.
What is the InChIKey of 3-[[5-(dimethylamino)-1-methyl-3-propan-2-ylpyrazol-4-yl]methylamino]-N,N-dimethylpropanamide;hydrochloride?
The InChIKey is IGQRVIHSOWRBPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29N5O.ClH/c1-11(2)14-12(15(19(5)6)20(7)17-14)10-16-9-8-13(21)18(3)4;/h11,16H,8-10H2,1-7H3;1H.
What are the key properties of 3-[[5-(dimethylamino)-1-methyl-3-propan-2-ylpyrazol-4-yl]methylamino]-N,N-dimethylpropanamide;hydrochloride?
3-[[5-(dimethylamino)-1-methyl-3-propan-2-ylpyrazol-4-yl]methylamino]-N,N-dimethylpropanamide;hydrochloride has a molecular weight of 331.89 g/mol, XLogP of 1.60, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[5-(dimethylamino)-1-methyl-3-propan-2-ylpyrazol-4-yl]methylamino]-N,N-dimethylpropanamide;hydrochloride is sourced from PubChem (CID 51105445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).