3-amino-N-[(2S)-2-(dimethylamino)-2-(3-methylphenyl)ethyl]-1H-pyrazole-5-carboxamide

C15H21N5O — CID 125442259

IUPAC3-amino-N-[(2S)-2-(dimethylamino)-2-(3-methylphenyl)ethyl]-1H-pyrazole-5-carboxamide
SMILESCc1cccc([C@@H](CNC(=O)c2cc(N)n[nH]2)N(C)C)c1
InChIInChI=1S/C15H21N5O/c1-10-5-4-6-11(7-10)13(20(2)3)9-17-15(21)12-8-14(16)19-18-12/h4-8,13H,9H2,1-3H3,(H,17,21)(H3,16,18,19)/t13-/m1/s1
InChIKeyYXQRIVABEKMPPI-CYBMUJFWSA-N
MW287.37 g/mol
LogP1.33
Rot. Bonds5

About 3-amino-N-[(2S)-2-(dimethylamino)-2-(3-methylphenyl)ethyl]-1H-pyrazole-5-carboxamide

3-amino-N-[(2S)-2-(dimethylamino)-2-(3-methylphenyl)ethyl]-1H-pyrazole-5-carboxamide (PubChem CID 125442259) has the molecular formula C15H21N5O and a molecular weight of 287.37 g/mol. Its IUPAC name is 3-amino-N-[(2S)-2-(dimethylamino)-2-(3-methylphenyl)ethyl]-1H-pyrazole-5-carboxamide.

Molecular Properties

Compound Name3-amino-N-[(2S)-2-(dimethylamino)-2-(3-methylphenyl)ethyl]-1H-pyrazole-5-carboxamide
PubChem CID125442259
Molecular FormulaC15H21N5O
Molecular Weight287.37 g/mol
Exact Mass287.17
IUPAC Name3-amino-N-[(2S)-2-(dimethylamino)-2-(3-methylphenyl)ethyl]-1H-pyrazole-5-carboxamide
SMILESCc1cccc([C@@H](CNC(=O)c2cc(N)n[nH]2)N(C)C)c1
InChIInChI=1S/C15H21N5O/c1-10-5-4-6-11(7-10)13(20(2)3)9-17-15(21)12-8-14(16)19-18-12/h4-8,13H,9H2,1-3H3,(H,17,21)(H3,16,18,19)/t13-/m1/s1
InChIKeyYXQRIVABEKMPPI-CYBMUJFWSA-N
XLogP1.33
TPSA87.04 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.37
LogP ≤ 51.33
H-Bond Donors ≤ 53
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
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-[(2S)-2-(dimethylamino)-2-(3-methylphenyl)ethyl]-1,3-dimethylpyrazole-4-carboxamide
CID 95463957
3-acetyl-N-[2-(dimethylamino)-2-(4-methylphenyl)ethyl]-1H-pyrazole-5-carboxamide
CID 74239195
N-[(2R)-2-(dimethylamino)-2-phenylethyl]-3-methylbenzamide
CID 2421982
2-acetyl-N-[2-(dimethylamino)-2-(3-methylphenyl)ethyl]-1,3-thiazole-5-carboxamide
CID 122562540
5-chloro-N-[(2R)-2-(dimethylamino)-2-(3-methylphenyl)ethyl]-2-oxo-1H-pyridine-3-carboxamide
CID 125446087
3-amino-N-(2-methylbutyl)-1H-pyrazole-5-carboxamide
CID 64524098
N-[2-(dimethylamino)-2-(3-methylphenyl)ethyl]-2-(3-methyl-5-oxo-1,2-dihydropyrazol-4-yl)acetamide
CID 122564762
N-[(2S)-2-(dimethylamino)-2-(4-methylphenyl)ethyl]-3-(3-methoxyphenyl)-1H-pyrazole-5-carboxamide
CID 97134220

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[(2S)-2-(dimethylamino)-2-(3-methylphenyl)ethyl]-1H-pyrazole-5-carboxamide?
The IUPAC name of 3-amino-N-[(2S)-2-(dimethylamino)-2-(3-methylphenyl)ethyl]-1H-pyrazole-5-carboxamide (CID 125442259) is 3-amino-N-[(2S)-2-(dimethylamino)-2-(3-methylphenyl)ethyl]-1H-pyrazole-5-carboxamide.
What is the SMILES notation for 3-amino-N-[(2S)-2-(dimethylamino)-2-(3-methylphenyl)ethyl]-1H-pyrazole-5-carboxamide?
The canonical SMILES for 3-amino-N-[(2S)-2-(dimethylamino)-2-(3-methylphenyl)ethyl]-1H-pyrazole-5-carboxamide is Cc1cccc([C@@H](CNC(=O)c2cc(N)n[nH]2)N(C)C)c1.
What is the InChIKey of 3-amino-N-[(2S)-2-(dimethylamino)-2-(3-methylphenyl)ethyl]-1H-pyrazole-5-carboxamide?
The InChIKey is YXQRIVABEKMPPI-CYBMUJFWSA-N. The full InChI is InChI=1S/C15H21N5O/c1-10-5-4-6-11(7-10)13(20(2)3)9-17-15(21)12-8-14(16)19-18-12/h4-8,13H,9H2,1-3H3,(H,17,21)(H3,16,18,19)/t13-/m1/s1.
What are the key properties of 3-amino-N-[(2S)-2-(dimethylamino)-2-(3-methylphenyl)ethyl]-1H-pyrazole-5-carboxamide?
3-amino-N-[(2S)-2-(dimethylamino)-2-(3-methylphenyl)ethyl]-1H-pyrazole-5-carboxamide has a molecular weight of 287.37 g/mol, XLogP of 1.33, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[(2S)-2-(dimethylamino)-2-(3-methylphenyl)ethyl]-1H-pyrazole-5-carboxamide is sourced from PubChem (CID 125442259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).