(2S)-2-amino-N-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-2-methyl-3-phenylpropanamide;dihydrochloride

C17H26Cl2N4O — CID 171149651

IUPAC(2S)-2-amino-N-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-2-methyl-3-phenylpropanamide;dihydrochloride
SMILESCc1n[nH]c(C)c1CCNC(=O)[C@@](C)(N)Cc1ccccc1.Cl.Cl
InChIInChI=1S/C17H24N4O.2ClH/c1-12-15(13(2)21-20-12)9-10-19-16(22)17(3,18)11-14-7-5-4-6-8-14;;/h4-8H,9-11,18H2,1-3H3,(H,19,22)(H,20,21);2*1H/t17-;;/m0../s1
InChIKeyKZAJHUBDULOVHB-RMRYJAPISA-N
MW373.33 g/mol
LogP2.49
Rot. Bonds6

About (2S)-2-amino-N-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-2-methyl-3-phenylpropanamide;dihydrochloride

(2S)-2-amino-N-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-2-methyl-3-phenylpropanamide;dihydrochloride (PubChem CID 171149651) has the molecular formula C17H26Cl2N4O and a molecular weight of 373.33 g/mol. Its IUPAC name is (2S)-2-amino-N-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-2-methyl-3-phenylpropanamide;dihydrochloride.

Molecular Properties

Compound Name(2S)-2-amino-N-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-2-methyl-3-phenylpropanamide;dihydrochloride
PubChem CID171149651
Molecular FormulaC17H26Cl2N4O
Molecular Weight373.33 g/mol
Exact Mass372.15
IUPAC Name(2S)-2-amino-N-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-2-methyl-3-phenylpropanamide;dihydrochloride
SMILESCc1n[nH]c(C)c1CCNC(=O)[C@@](C)(N)Cc1ccccc1.Cl.Cl
InChIInChI=1S/C17H24N4O.2ClH/c1-12-15(13(2)21-20-12)9-10-19-16(22)17(3,18)11-14-7-5-4-6-8-14;;/h4-8H,9-11,18H2,1-3H3,(H,19,22)(H,20,21);2*1H/t17-;;/m0../s1
InChIKeyKZAJHUBDULOVHB-RMRYJAPISA-N
XLogP2.49
TPSA83.80 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.33
LogP ≤ 52.49
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 73062281
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1-(2,2-dimethylpropyl)-3-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]urea
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2-amino-2-methyl-N-(3-phenylpropyl)pentanamide;hydrochloride
CID 119674817
2-amino-N-[2-(2,6-dimethylphenyl)ethyl]-2-methylpentanamide;hydrochloride
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N-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-6-oxo-1H-pyridazine-3-carboxamide
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N-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-N-methyl-1-benzofuran-2-carboxamide
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(2R)-2-amino-2-methyl-3-phenylpropanoic acid
CID 7023409
(2R)-2-[[(2S)-2-amino-2-methyl-3-phenylpropanoyl]amino]-2-methyl-3-phenylpropanoic acid
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3-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[2-(3-methoxyphenyl)ethyl]propanamide
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4,5-dimethyl-N-(2-phenylethyl)-1H-pyrazole-3-carboxamide
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4-[[3-(3,5-dimethyl-1H-pyrazol-4-yl)propanoylamino]methyl]benzoic acid
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Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-2-methyl-3-phenylpropanamide;dihydrochloride?
The IUPAC name of (2S)-2-amino-N-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-2-methyl-3-phenylpropanamide;dihydrochloride (CID 171149651) is (2S)-2-amino-N-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-2-methyl-3-phenylpropanamide;dihydrochloride.
What is the SMILES notation for (2S)-2-amino-N-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-2-methyl-3-phenylpropanamide;dihydrochloride?
The canonical SMILES for (2S)-2-amino-N-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-2-methyl-3-phenylpropanamide;dihydrochloride is Cc1n[nH]c(C)c1CCNC(=O)[C@@](C)(N)Cc1ccccc1.Cl.Cl.
What is the InChIKey of (2S)-2-amino-N-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-2-methyl-3-phenylpropanamide;dihydrochloride?
The InChIKey is KZAJHUBDULOVHB-RMRYJAPISA-N. The full InChI is InChI=1S/C17H24N4O.2ClH/c1-12-15(13(2)21-20-12)9-10-19-16(22)17(3,18)11-14-7-5-4-6-8-14;;/h4-8H,9-11,18H2,1-3H3,(H,19,22)(H,20,21);2*1H/t17-;;/m0../s1.
What are the key properties of (2S)-2-amino-N-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-2-methyl-3-phenylpropanamide;dihydrochloride?
(2S)-2-amino-N-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-2-methyl-3-phenylpropanamide;dihydrochloride has a molecular weight of 373.33 g/mol, XLogP of 2.49, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-N-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-2-methyl-3-phenylpropanamide;dihydrochloride is sourced from PubChem (CID 171149651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).