4-amino-N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)butanamide;hydrochloride

C15H21ClN4O2 — CID 119261471

IUPAC4-amino-N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)butanamide;hydrochloride
SMILESCc1c(NC(=O)CCCN)c(=O)n(-c2ccccc2)n1C.Cl
InChIInChI=1S/C15H20N4O2.ClH/c1-11-14(17-13(20)9-6-10-16)15(21)19(18(11)2)12-7-4-3-5-8-12;/h3-5,7-8H,6,9-10,16H2,1-2H3,(H,17,20);1H
InChIKeyDRYNUUOGYNWBGO-UHFFFAOYSA-N
MW324.81 g/mol
LogP1.58
Rot. Bonds5

About 4-amino-N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)butanamide;hydrochloride

4-amino-N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)butanamide;hydrochloride (PubChem CID 119261471) has the molecular formula C15H21ClN4O2 and a molecular weight of 324.81 g/mol. Its IUPAC name is 4-amino-N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)butanamide;hydrochloride.

Molecular Properties

Compound Name4-amino-N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)butanamide;hydrochloride
PubChem CID119261471
Molecular FormulaC15H21ClN4O2
Molecular Weight324.81 g/mol
Exact Mass324.14
IUPAC Name4-amino-N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)butanamide;hydrochloride
SMILESCc1c(NC(=O)CCCN)c(=O)n(-c2ccccc2)n1C.Cl
InChIInChI=1S/C15H20N4O2.ClH/c1-11-14(17-13(20)9-6-10-16)15(21)19(18(11)2)12-7-4-3-5-8-12;/h3-5,7-8H,6,9-10,16H2,1-2H3,(H,17,20);1H
InChIKeyDRYNUUOGYNWBGO-UHFFFAOYSA-N
XLogP1.58
TPSA82.05 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.81
LogP ≤ 51.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

7-amino-N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)heptanamide;hydrochloride
CID 119669086
N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)dodecanamide
CID 4117225
N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-3-methylsulfanylpropanamide
CID 34673124
3-(4-chlorophenyl)-N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)propanamide
CID 16574621
4-(2,4-dichlorophenoxy)-N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)butanamide
CID 2257918
N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-3,3-dimethylbutanamide
CID 8701756
4-(4-tert-butylphenoxy)-N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)butanamide
CID 8701720
N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-4-pyrrolidin-1-ylsulfonylbutanamide
CID 112843813
N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-3-(3-phenylpropylsulfanyl)propanamide
CID 46575255
2-[2-[(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)amino]-2-oxoethyl]sulfanyl-N-phenylacetamide
CID 1412018
N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-6-[(1R,2S,6R,7R)-3,5-dioxo-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl]hexanamide
CID 98148996
N-[2-[(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)amino]-2-oxoethyl]-4-methylpentanamide
CID 51135422

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)butanamide;hydrochloride?
The IUPAC name of 4-amino-N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)butanamide;hydrochloride (CID 119261471) is 4-amino-N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)butanamide;hydrochloride.
What is the SMILES notation for 4-amino-N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)butanamide;hydrochloride?
The canonical SMILES for 4-amino-N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)butanamide;hydrochloride is Cc1c(NC(=O)CCCN)c(=O)n(-c2ccccc2)n1C.Cl.
What is the InChIKey of 4-amino-N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)butanamide;hydrochloride?
The InChIKey is DRYNUUOGYNWBGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4O2.ClH/c1-11-14(17-13(20)9-6-10-16)15(21)19(18(11)2)12-7-4-3-5-8-12;/h3-5,7-8H,6,9-10,16H2,1-2H3,(H,17,20);1H.
What are the key properties of 4-amino-N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)butanamide;hydrochloride?
4-amino-N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)butanamide;hydrochloride has a molecular weight of 324.81 g/mol, XLogP of 1.58, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)butanamide;hydrochloride is sourced from PubChem (CID 119261471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).