2-amino-N-[1-(3-chloroanilino)-2-methylpropan-2-yl]-2-(3,5-dimethyl-1H-pyrazol-4-yl)acetamide

C17H24ClN5O — CID 70761719

IUPAC2-amino-N-[1-(3-chloroanilino)-2-methylpropan-2-yl]-2-(3,5-dimethyl-1H-pyrazol-4-yl)acetamide
SMILESCc1n[nH]c(C)c1C(N)C(=O)NC(C)(C)CNc1cccc(Cl)c1
InChIInChI=1S/C17H24ClN5O/c1-10-14(11(2)23-22-10)15(19)16(24)21-17(3,4)9-20-13-7-5-6-12(18)8-13/h5-8,15,20H,9,19H2,1-4H3,(H,21,24)(H,22,23)
InChIKeyYNNFKLPKUHWPLO-UHFFFAOYSA-N
MW349.87 g/mol
LogP2.69
Rot. Bonds6

About 2-amino-N-[1-(3-chloroanilino)-2-methylpropan-2-yl]-2-(3,5-dimethyl-1H-pyrazol-4-yl)acetamide

2-amino-N-[1-(3-chloroanilino)-2-methylpropan-2-yl]-2-(3,5-dimethyl-1H-pyrazol-4-yl)acetamide (PubChem CID 70761719) has the molecular formula C17H24ClN5O and a molecular weight of 349.87 g/mol. Its IUPAC name is 2-amino-N-[1-(3-chloroanilino)-2-methylpropan-2-yl]-2-(3,5-dimethyl-1H-pyrazol-4-yl)acetamide.

Molecular Properties

Compound Name2-amino-N-[1-(3-chloroanilino)-2-methylpropan-2-yl]-2-(3,5-dimethyl-1H-pyrazol-4-yl)acetamide
PubChem CID70761719
Molecular FormulaC17H24ClN5O
Molecular Weight349.87 g/mol
Exact Mass349.17
IUPAC Name2-amino-N-[1-(3-chloroanilino)-2-methylpropan-2-yl]-2-(3,5-dimethyl-1H-pyrazol-4-yl)acetamide
SMILESCc1n[nH]c(C)c1C(N)C(=O)NC(C)(C)CNc1cccc(Cl)c1
InChIInChI=1S/C17H24ClN5O/c1-10-14(11(2)23-22-10)15(19)16(24)21-17(3,4)9-20-13-7-5-6-12(18)8-13/h5-8,15,20H,9,19H2,1-4H3,(H,21,24)(H,22,23)
InChIKeyYNNFKLPKUHWPLO-UHFFFAOYSA-N
XLogP2.69
TPSA95.83 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.87
LogP ≤ 52.69
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

1-N-(3-chlorophenyl)-2-methylpropane-1,2-diamine;hydrochloride
CID 156589611
2-amino-2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[(3-phenyl-1H-pyrazol-5-yl)methyl]acetamide
CID 91770336
N-(3-chlorophenyl)-4,5-dimethyl-1H-pyrazole-3-carboxamide
CID 110858828
ethyl 3-(3-chloroanilino)-5-methyl-1H-pyrazole-4-carboxylate
CID 14500687
2-amino-3-(3-chloroanilino)propanoic acid
CID 103234190
(2S,4S)-4-amino-N-[1-(3-chloroanilino)-2-methylpropan-2-yl]-1-methylpyrrolidine-2-carboxamide
CID 56713673
ethyl 2-(4-chloroanilino)-2-(3,5-dimethyl-1H-pyrazol-4-yl)acetate
CID 64975071
1-(4-acetylpiperazin-1-yl)-2-(3-chloroanilino)ethanone
CID 108996168
ethyl 2-[(3-chlorophenyl)carbamoyl]-3,3-dimethylbutanoate
CID 116537666
1-(3-chloroanilino)propan-2-one
CID 21364413
2-amino-2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[2-(4-methyl-6-oxo-1H-pyrimidin-2-yl)ethyl]acetamide
CID 136664878
2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-(3-methoxyphenyl)propanamide
CID 20950780

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[1-(3-chloroanilino)-2-methylpropan-2-yl]-2-(3,5-dimethyl-1H-pyrazol-4-yl)acetamide?
The IUPAC name of 2-amino-N-[1-(3-chloroanilino)-2-methylpropan-2-yl]-2-(3,5-dimethyl-1H-pyrazol-4-yl)acetamide (CID 70761719) is 2-amino-N-[1-(3-chloroanilino)-2-methylpropan-2-yl]-2-(3,5-dimethyl-1H-pyrazol-4-yl)acetamide.
What is the SMILES notation for 2-amino-N-[1-(3-chloroanilino)-2-methylpropan-2-yl]-2-(3,5-dimethyl-1H-pyrazol-4-yl)acetamide?
The canonical SMILES for 2-amino-N-[1-(3-chloroanilino)-2-methylpropan-2-yl]-2-(3,5-dimethyl-1H-pyrazol-4-yl)acetamide is Cc1n[nH]c(C)c1C(N)C(=O)NC(C)(C)CNc1cccc(Cl)c1.
What is the InChIKey of 2-amino-N-[1-(3-chloroanilino)-2-methylpropan-2-yl]-2-(3,5-dimethyl-1H-pyrazol-4-yl)acetamide?
The InChIKey is YNNFKLPKUHWPLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24ClN5O/c1-10-14(11(2)23-22-10)15(19)16(24)21-17(3,4)9-20-13-7-5-6-12(18)8-13/h5-8,15,20H,9,19H2,1-4H3,(H,21,24)(H,22,23).
What are the key properties of 2-amino-N-[1-(3-chloroanilino)-2-methylpropan-2-yl]-2-(3,5-dimethyl-1H-pyrazol-4-yl)acetamide?
2-amino-N-[1-(3-chloroanilino)-2-methylpropan-2-yl]-2-(3,5-dimethyl-1H-pyrazol-4-yl)acetamide has a molecular weight of 349.87 g/mol, XLogP of 2.69, 6 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[1-(3-chloroanilino)-2-methylpropan-2-yl]-2-(3,5-dimethyl-1H-pyrazol-4-yl)acetamide is sourced from PubChem (CID 70761719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).