N-(3-amino-2,2-dimethylpropyl)-2-[1-(2,4-dichlorophenyl)-3,5-dimethylpyrazol-4-yl]-N-methylacetamide

C19H26Cl2N4O — CID 119656988

IUPACN-(3-amino-2,2-dimethylpropyl)-2-[1-(2,4-dichlorophenyl)-3,5-dimethylpyrazol-4-yl]-N-methylacetamide
SMILESCc1nn(-c2ccc(Cl)cc2Cl)c(C)c1CC(=O)N(C)CC(C)(C)CN
InChIInChI=1S/C19H26Cl2N4O/c1-12-15(9-18(26)24(5)11-19(3,4)10-22)13(2)25(23-12)17-7-6-14(20)8-16(17)21/h6-8H,9-11,22H2,1-5H3
InChIKeyHGLAUWIHTMUJHO-UHFFFAOYSA-N
MW397.35 g/mol
LogP3.78
Rot. Bonds6

About N-(3-amino-2,2-dimethylpropyl)-2-[1-(2,4-dichlorophenyl)-3,5-dimethylpyrazol-4-yl]-N-methylacetamide

N-(3-amino-2,2-dimethylpropyl)-2-[1-(2,4-dichlorophenyl)-3,5-dimethylpyrazol-4-yl]-N-methylacetamide (PubChem CID 119656988) has the molecular formula C19H26Cl2N4O and a molecular weight of 397.35 g/mol. Its IUPAC name is N-(3-amino-2,2-dimethylpropyl)-2-[1-(2,4-dichlorophenyl)-3,5-dimethylpyrazol-4-yl]-N-methylacetamide.

Molecular Properties

Compound NameN-(3-amino-2,2-dimethylpropyl)-2-[1-(2,4-dichlorophenyl)-3,5-dimethylpyrazol-4-yl]-N-methylacetamide
PubChem CID119656988
Molecular FormulaC19H26Cl2N4O
Molecular Weight397.35 g/mol
Exact Mass396.15
IUPAC NameN-(3-amino-2,2-dimethylpropyl)-2-[1-(2,4-dichlorophenyl)-3,5-dimethylpyrazol-4-yl]-N-methylacetamide
SMILESCc1nn(-c2ccc(Cl)cc2Cl)c(C)c1CC(=O)N(C)CC(C)(C)CN
InChIInChI=1S/C19H26Cl2N4O/c1-12-15(9-18(26)24(5)11-19(3,4)10-22)13(2)25(23-12)17-7-6-14(20)8-16(17)21/h6-8H,9-11,22H2,1-5H3
InChIKeyHGLAUWIHTMUJHO-UHFFFAOYSA-N
XLogP3.78
TPSA64.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.35
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-(3-amino-2,2-dimethylpropyl)-2-[1-(2,4-dichlorophenyl)-3,5-dimethylpyrazol-4-yl]-N-methylacetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[1-(2,4-dichlorophenyl)-3,5-dimethylpyrazol-4-yl]-N-methyl-N-propan-2-ylacetamide
CID 86998087
2-[1-(2,4-dichlorophenyl)-3,5-dimethylpyrazol-4-yl]-N-methyl-N-[2-(4-methylanilino)-2-oxoethyl]acetamide
CID 55755549
N-(3-amino-2,2-dimethylpropyl)-N-methyl-2-(1,3,5-trimethylpyrazol-4-yl)acetamide
CID 119654378
methyl 2-[1-(2,4-dichlorophenyl)-3,5-dimethylpyrazol-4-yl]acetate
CID 61381135
2-[[2-[1-(2,4-dichlorophenyl)-3,5-dimethylpyrazol-4-yl]acetyl]-ethylamino]acetic acid
CID 119205994
N-[(2S)-1-aminopropan-2-yl]-2-[1-(2,4-dichlorophenyl)-3,5-dimethylpyrazol-4-yl]acetamide
CID 120506491
ethyl (2S)-3-[[2-[1-(2,4-dichlorophenyl)-3,5-dimethylpyrazol-4-yl]acetyl]amino]-2-hydroxy-2-methylpropanoate
CID 97307697
2-[[2-[1-(2,4-dichlorophenyl)-3,5-dimethylpyrazol-4-yl]acetyl]amino]acetic acid
CID 119171332
1-[2-(aminomethyl)piperidin-1-yl]-2-[1-(2,4-dichlorophenyl)-3,5-dimethylpyrazol-4-yl]ethanone;hydrochloride
CID 119469723
1-[2-[1-(2,4-dichlorophenyl)-3,5-dimethylpyrazol-4-yl]acetyl]piperidine-2-carboxamide
CID 112830468
N-(3-amino-2,2-dimethylpropyl)-2-(5-chloro-2-methoxyphenyl)-N-methylacetamide
CID 119652426
2-[1-(2,4-dichlorophenyl)-3,5-dimethylpyrazol-4-yl]-N-piperidin-4-ylacetamide
CID 119390343

Frequently Asked Questions

What is the IUPAC name of N-(3-amino-2,2-dimethylpropyl)-2-[1-(2,4-dichlorophenyl)-3,5-dimethylpyrazol-4-yl]-N-methylacetamide?
The IUPAC name of N-(3-amino-2,2-dimethylpropyl)-2-[1-(2,4-dichlorophenyl)-3,5-dimethylpyrazol-4-yl]-N-methylacetamide (CID 119656988) is N-(3-amino-2,2-dimethylpropyl)-2-[1-(2,4-dichlorophenyl)-3,5-dimethylpyrazol-4-yl]-N-methylacetamide.
What is the SMILES notation for N-(3-amino-2,2-dimethylpropyl)-2-[1-(2,4-dichlorophenyl)-3,5-dimethylpyrazol-4-yl]-N-methylacetamide?
The canonical SMILES for N-(3-amino-2,2-dimethylpropyl)-2-[1-(2,4-dichlorophenyl)-3,5-dimethylpyrazol-4-yl]-N-methylacetamide is Cc1nn(-c2ccc(Cl)cc2Cl)c(C)c1CC(=O)N(C)CC(C)(C)CN.
What is the InChIKey of N-(3-amino-2,2-dimethylpropyl)-2-[1-(2,4-dichlorophenyl)-3,5-dimethylpyrazol-4-yl]-N-methylacetamide?
The InChIKey is HGLAUWIHTMUJHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26Cl2N4O/c1-12-15(9-18(26)24(5)11-19(3,4)10-22)13(2)25(23-12)17-7-6-14(20)8-16(17)21/h6-8H,9-11,22H2,1-5H3.
What are the key properties of N-(3-amino-2,2-dimethylpropyl)-2-[1-(2,4-dichlorophenyl)-3,5-dimethylpyrazol-4-yl]-N-methylacetamide?
N-(3-amino-2,2-dimethylpropyl)-2-[1-(2,4-dichlorophenyl)-3,5-dimethylpyrazol-4-yl]-N-methylacetamide has a molecular weight of 397.35 g/mol, XLogP of 3.78, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-2,2-dimethylpropyl)-2-[1-(2,4-dichlorophenyl)-3,5-dimethylpyrazol-4-yl]-N-methylacetamide is sourced from PubChem (CID 119656988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).