N-[(2S)-2-(dimethylamino)-2-(3-methylphenyl)ethyl]-1,3-dimethylpyrazole-4-carboxamide

C17H24N4O — CID 95463957

IUPACN-[(2S)-2-(dimethylamino)-2-(3-methylphenyl)ethyl]-1,3-dimethylpyrazole-4-carboxamide
SMILESCc1cccc([C@@H](CNC(=O)c2cn(C)nc2C)N(C)C)c1
InChIInChI=1S/C17H24N4O/c1-12-7-6-8-14(9-12)16(20(3)4)10-18-17(22)15-11-21(5)19-13(15)2/h6-9,11,16H,10H2,1-5H3,(H,18,22)/t16-/m1/s1
InChIKeyYNBRJAQHUXXPAA-MRXNPFEDSA-N
MW300.41 g/mol
LogP2.07
Rot. Bonds5

About N-[(2S)-2-(dimethylamino)-2-(3-methylphenyl)ethyl]-1,3-dimethylpyrazole-4-carboxamide

N-[(2S)-2-(dimethylamino)-2-(3-methylphenyl)ethyl]-1,3-dimethylpyrazole-4-carboxamide (PubChem CID 95463957) has the molecular formula C17H24N4O and a molecular weight of 300.41 g/mol. Its IUPAC name is N-[(2S)-2-(dimethylamino)-2-(3-methylphenyl)ethyl]-1,3-dimethylpyrazole-4-carboxamide.

Molecular Properties

Compound NameN-[(2S)-2-(dimethylamino)-2-(3-methylphenyl)ethyl]-1,3-dimethylpyrazole-4-carboxamide
PubChem CID95463957
Molecular FormulaC17H24N4O
Molecular Weight300.41 g/mol
Exact Mass300.20
IUPAC NameN-[(2S)-2-(dimethylamino)-2-(3-methylphenyl)ethyl]-1,3-dimethylpyrazole-4-carboxamide
SMILESCc1cccc([C@@H](CNC(=O)c2cn(C)nc2C)N(C)C)c1
InChIInChI=1S/C17H24N4O/c1-12-7-6-8-14(9-12)16(20(3)4)10-18-17(22)15-11-21(5)19-13(15)2/h6-9,11,16H,10H2,1-5H3,(H,18,22)/t16-/m1/s1
InChIKeyYNBRJAQHUXXPAA-MRXNPFEDSA-N
XLogP2.07
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.41
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(2S)-2-(dimethylamino)-2-(3-methylphenyl)ethyl]-5-methyl-2H-triazole-4-carboxamide
CID 125436397
2-[[(1,3-dimethylpyrazole-4-carbonyl)amino]methyl]-3-(3-methylphenyl)propanoic acid
CID 119243155
N-[(2S)-2-(dimethylamino)-2-(3-methylphenyl)ethyl]-5-methyl-1H-imidazole-4-carboxamide
CID 95563254
N-[(2R)-2-(dimethylamino)-2-(3-methylphenyl)ethyl]pyridine-3-carboxamide
CID 95191423
N-[(2S)-2-(dimethylamino)-2-(3-methylphenyl)ethyl]pyridine-3-carboxamide
CID 95191422
N-[2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]-1-methyl-3-(trifluoromethyl)pyrazole-4-carboxamide
CID 87008766
3-amino-N-[(2S)-2-(dimethylamino)-2-(3-methylphenyl)ethyl]-1H-pyrazole-5-carboxamide
CID 125442259
5-chloro-N-[(2R)-2-(dimethylamino)-2-(3-methylphenyl)ethyl]-2-oxo-1H-pyridine-3-carboxamide
CID 125446087
N-[(2R)-2-(dimethylamino)-2-phenylethyl]-3-methylbenzamide
CID 2421982
N-[(2R)-2-(dimethylamino)-2-(3-fluorophenyl)ethyl]-2,4-dimethylbenzamide
CID 25480231
2-acetyl-N-[2-(dimethylamino)-2-(3-methylphenyl)ethyl]-1,3-thiazole-5-carboxamide
CID 122562540
(2S)-3-[(1,3-dimethylpyrazole-4-carbonyl)amino]-2-hydroxypropanoic acid
CID 107833607

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-2-(dimethylamino)-2-(3-methylphenyl)ethyl]-1,3-dimethylpyrazole-4-carboxamide?
The IUPAC name of N-[(2S)-2-(dimethylamino)-2-(3-methylphenyl)ethyl]-1,3-dimethylpyrazole-4-carboxamide (CID 95463957) is N-[(2S)-2-(dimethylamino)-2-(3-methylphenyl)ethyl]-1,3-dimethylpyrazole-4-carboxamide.
What is the SMILES notation for N-[(2S)-2-(dimethylamino)-2-(3-methylphenyl)ethyl]-1,3-dimethylpyrazole-4-carboxamide?
The canonical SMILES for N-[(2S)-2-(dimethylamino)-2-(3-methylphenyl)ethyl]-1,3-dimethylpyrazole-4-carboxamide is Cc1cccc([C@@H](CNC(=O)c2cn(C)nc2C)N(C)C)c1.
What is the InChIKey of N-[(2S)-2-(dimethylamino)-2-(3-methylphenyl)ethyl]-1,3-dimethylpyrazole-4-carboxamide?
The InChIKey is YNBRJAQHUXXPAA-MRXNPFEDSA-N. The full InChI is InChI=1S/C17H24N4O/c1-12-7-6-8-14(9-12)16(20(3)4)10-18-17(22)15-11-21(5)19-13(15)2/h6-9,11,16H,10H2,1-5H3,(H,18,22)/t16-/m1/s1.
What are the key properties of N-[(2S)-2-(dimethylamino)-2-(3-methylphenyl)ethyl]-1,3-dimethylpyrazole-4-carboxamide?
N-[(2S)-2-(dimethylamino)-2-(3-methylphenyl)ethyl]-1,3-dimethylpyrazole-4-carboxamide has a molecular weight of 300.41 g/mol, XLogP of 2.07, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-2-(dimethylamino)-2-(3-methylphenyl)ethyl]-1,3-dimethylpyrazole-4-carboxamide is sourced from PubChem (CID 95463957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).