3-amino-N-methyl-4-phenyl-N-[(1R)-1-(1,3-thiazol-2-yl)ethyl]-1H-pyrazole-5-carboxamide

C16H17N5OS — CID 99995878

IUPAC3-amino-N-methyl-4-phenyl-N-[(1R)-1-(1,3-thiazol-2-yl)ethyl]-1H-pyrazole-5-carboxamide
SMILESC[C@H](c1nccs1)N(C)C(=O)c1[nH]nc(N)c1-c1ccccc1
InChIInChI=1S/C16H17N5OS/c1-10(15-18-8-9-23-15)21(2)16(22)13-12(14(17)20-19-13)11-6-4-3-5-7-11/h3-10H,1-2H3,(H3,17,19,20)/t10-/m1/s1
InChIKeyVKVZQBAVPJMSPQ-SNVBAGLBSA-N
MW327.41 g/mol
LogP2.95
Rot. Bonds4

About 3-amino-N-methyl-4-phenyl-N-[(1R)-1-(1,3-thiazol-2-yl)ethyl]-1H-pyrazole-5-carboxamide

3-amino-N-methyl-4-phenyl-N-[(1R)-1-(1,3-thiazol-2-yl)ethyl]-1H-pyrazole-5-carboxamide (PubChem CID 99995878) has the molecular formula C16H17N5OS and a molecular weight of 327.41 g/mol. Its IUPAC name is 3-amino-N-methyl-4-phenyl-N-[(1R)-1-(1,3-thiazol-2-yl)ethyl]-1H-pyrazole-5-carboxamide.

Molecular Properties

Compound Name3-amino-N-methyl-4-phenyl-N-[(1R)-1-(1,3-thiazol-2-yl)ethyl]-1H-pyrazole-5-carboxamide
PubChem CID99995878
Molecular FormulaC16H17N5OS
Molecular Weight327.41 g/mol
Exact Mass327.12
IUPAC Name3-amino-N-methyl-4-phenyl-N-[(1R)-1-(1,3-thiazol-2-yl)ethyl]-1H-pyrazole-5-carboxamide
SMILESC[C@H](c1nccs1)N(C)C(=O)c1[nH]nc(N)c1-c1ccccc1
InChIInChI=1S/C16H17N5OS/c1-10(15-18-8-9-23-15)21(2)16(22)13-12(14(17)20-19-13)11-6-4-3-5-7-11/h3-10H,1-2H3,(H3,17,19,20)/t10-/m1/s1
InChIKeyVKVZQBAVPJMSPQ-SNVBAGLBSA-N
XLogP2.95
TPSA87.90 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.41
LogP ≤ 52.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-[6-(dimethylamino)pyrazin-2-yl]-N-methyl-N-[(1S)-1-(1,3-thiazol-2-yl)ethyl]benzamide
CID 125442539
(2S)-2-amino-N-methyl-N-[(1R)-1-(1,3-thiazol-2-yl)ethyl]propanamide
CID 96555462
5-acetyl-N,2,4-trimethyl-N-[(1S)-1-(1,3-thiazol-2-yl)ethyl]-1H-pyrrole-3-carboxamide
CID 95128802
3-amino-N-[[(2S)-2,3-dihydro-1-benzofuran-2-yl]methyl]-N-methyl-4-phenyl-1H-pyrazole-5-carboxamide
CID 99947024
3-amino-N-methyl-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]-4-phenyl-1H-pyrazole-5-carboxamide
CID 90649073
N-methyl-2-(4-methylphenyl)-6-oxo-N-[(1R)-1-(1,3-thiazol-2-yl)ethyl]-1H-pyrimidine-5-carboxamide
CID 97116459
N-methyl-2-(methylamino)-N-[1-(1,3-thiazol-2-yl)ethyl]pyridine-4-carboxamide
CID 50968047
2-[(2-fluorophenoxy)methyl]-N-methyl-N-[(1R)-1-(1,3-thiazol-2-yl)ethyl]-1,3-oxazole-4-carboxamide
CID 42194089
2-[4-(2-fluorophenyl)piperazin-1-yl]-6-(2-methoxyphenyl)-N-methyl-N-[1-(1,3-thiazol-2-yl)ethyl]pyridine-3-carboxamide
CID 45224350
N-methyl-2-propyl-N-[1-(1,3-thiazol-2-yl)ethyl]pyridine-4-carboxamide
CID 50982712
3-amino-4-thiophen-2-yl-1H-pyrazole-5-carboxylic acid
CID 82470643
3-amino-4-(4-methoxyphenyl)-1H-pyrazole-5-carboxylic acid
CID 82082689

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-methyl-4-phenyl-N-[(1R)-1-(1,3-thiazol-2-yl)ethyl]-1H-pyrazole-5-carboxamide?
The IUPAC name of 3-amino-N-methyl-4-phenyl-N-[(1R)-1-(1,3-thiazol-2-yl)ethyl]-1H-pyrazole-5-carboxamide (CID 99995878) is 3-amino-N-methyl-4-phenyl-N-[(1R)-1-(1,3-thiazol-2-yl)ethyl]-1H-pyrazole-5-carboxamide.
What is the SMILES notation for 3-amino-N-methyl-4-phenyl-N-[(1R)-1-(1,3-thiazol-2-yl)ethyl]-1H-pyrazole-5-carboxamide?
The canonical SMILES for 3-amino-N-methyl-4-phenyl-N-[(1R)-1-(1,3-thiazol-2-yl)ethyl]-1H-pyrazole-5-carboxamide is C[C@H](c1nccs1)N(C)C(=O)c1[nH]nc(N)c1-c1ccccc1.
What is the InChIKey of 3-amino-N-methyl-4-phenyl-N-[(1R)-1-(1,3-thiazol-2-yl)ethyl]-1H-pyrazole-5-carboxamide?
The InChIKey is VKVZQBAVPJMSPQ-SNVBAGLBSA-N. The full InChI is InChI=1S/C16H17N5OS/c1-10(15-18-8-9-23-15)21(2)16(22)13-12(14(17)20-19-13)11-6-4-3-5-7-11/h3-10H,1-2H3,(H3,17,19,20)/t10-/m1/s1.
What are the key properties of 3-amino-N-methyl-4-phenyl-N-[(1R)-1-(1,3-thiazol-2-yl)ethyl]-1H-pyrazole-5-carboxamide?
3-amino-N-methyl-4-phenyl-N-[(1R)-1-(1,3-thiazol-2-yl)ethyl]-1H-pyrazole-5-carboxamide has a molecular weight of 327.41 g/mol, XLogP of 2.95, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-methyl-4-phenyl-N-[(1R)-1-(1,3-thiazol-2-yl)ethyl]-1H-pyrazole-5-carboxamide is sourced from PubChem (CID 99995878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).