3-[1-[2-(methylamino)-2-oxoethyl]pyrazol-4-yl]-N-[1-(1,3-thiazol-2-yl)propyl]benzamide

C19H21N5O2S — CID 122560909

IUPAC3-[1-[2-(methylamino)-2-oxoethyl]pyrazol-4-yl]-N-[1-(1,3-thiazol-2-yl)propyl]benzamide
SMILESCCC(NC(=O)c1cccc(-c2cnn(CC(=O)NC)c2)c1)c1nccs1
InChIInChI=1S/C19H21N5O2S/c1-3-16(19-21-7-8-27-19)23-18(26)14-6-4-5-13(9-14)15-10-22-24(11-15)12-17(25)20-2/h4-11,16H,3,12H2,1-2H3,(H,20,25)(H,23,26)
InChIKeyHZVRRRMYTIQMRK-UHFFFAOYSA-N
MW383.48 g/mol
LogP2.63
Rot. Bonds7

About 3-[1-[2-(methylamino)-2-oxoethyl]pyrazol-4-yl]-N-[1-(1,3-thiazol-2-yl)propyl]benzamide

3-[1-[2-(methylamino)-2-oxoethyl]pyrazol-4-yl]-N-[1-(1,3-thiazol-2-yl)propyl]benzamide (PubChem CID 122560909) has the molecular formula C19H21N5O2S and a molecular weight of 383.48 g/mol. Its IUPAC name is 3-[1-[2-(methylamino)-2-oxoethyl]pyrazol-4-yl]-N-[1-(1,3-thiazol-2-yl)propyl]benzamide.

Molecular Properties

Compound Name3-[1-[2-(methylamino)-2-oxoethyl]pyrazol-4-yl]-N-[1-(1,3-thiazol-2-yl)propyl]benzamide
PubChem CID122560909
Molecular FormulaC19H21N5O2S
Molecular Weight383.48 g/mol
Exact Mass383.14
IUPAC Name3-[1-[2-(methylamino)-2-oxoethyl]pyrazol-4-yl]-N-[1-(1,3-thiazol-2-yl)propyl]benzamide
SMILESCCC(NC(=O)c1cccc(-c2cnn(CC(=O)NC)c2)c1)c1nccs1
InChIInChI=1S/C19H21N5O2S/c1-3-16(19-21-7-8-27-19)23-18(26)14-6-4-5-13(9-14)15-10-22-24(11-15)12-17(25)20-2/h4-11,16H,3,12H2,1-2H3,(H,20,25)(H,23,26)
InChIKeyHZVRRRMYTIQMRK-UHFFFAOYSA-N
XLogP2.63
TPSA88.91 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.48
LogP ≤ 52.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

3-[5-[(dimethylamino)methyl]-2-pyridinyl]-N-[(1R)-1-(1,3-thiazol-2-yl)propyl]benzamide
CID 125174061
3-(1-methylpyrazol-4-yl)-N-[1-(1-methylpyrazol-4-yl)propyl]benzamide
CID 119059594
N-methyl-2-[4-(2-methyl-4-pyridinyl)pyrazol-1-yl]acetamide
CID 121497314
2-[4-(3-bromophenyl)pyrazol-1-yl]-N-[(2R)-butan-2-yl]acetamide
CID 100830551
4-(morpholine-4-carbonyl)-N-[(1R)-1-(1,3-thiazol-2-yl)propyl]benzamide
CID 124842272
3-amino-3-phenyl-N-[1-(1,3-thiazol-2-yl)propyl]propanamide;dihydrochloride
CID 119954007
5-chloro-2-(methylamino)-N-[1-(1,3-thiazol-2-yl)propyl]pyridine-4-carboxamide
CID 114923771
2-[2-(methylamino)ethyl]-N-[1-(1,3-thiazol-2-yl)propyl]benzamide
CID 104547969
6-methyl-4-oxo-N-[1-(1,3-thiazol-2-yl)propyl]-1H-pyridine-3-carboxamide
CID 103718209
4-amino-2-(methylamino)-N-[1-(1,3-thiazol-2-yl)propyl]-1,3-thiazole-5-carboxamide
CID 116666932
N-methyl-2-[4-(1-methyl-6-oxo-4-phenyl-3-pyridinyl)pyrazol-1-yl]acetamide
CID 135355345
3,6-dichloro-N-[1-(1,3-thiazol-2-yl)propyl]pyridazine-4-carboxamide
CID 114038514

Frequently Asked Questions

What is the IUPAC name of 3-[1-[2-(methylamino)-2-oxoethyl]pyrazol-4-yl]-N-[1-(1,3-thiazol-2-yl)propyl]benzamide?
The IUPAC name of 3-[1-[2-(methylamino)-2-oxoethyl]pyrazol-4-yl]-N-[1-(1,3-thiazol-2-yl)propyl]benzamide (CID 122560909) is 3-[1-[2-(methylamino)-2-oxoethyl]pyrazol-4-yl]-N-[1-(1,3-thiazol-2-yl)propyl]benzamide.
What is the SMILES notation for 3-[1-[2-(methylamino)-2-oxoethyl]pyrazol-4-yl]-N-[1-(1,3-thiazol-2-yl)propyl]benzamide?
The canonical SMILES for 3-[1-[2-(methylamino)-2-oxoethyl]pyrazol-4-yl]-N-[1-(1,3-thiazol-2-yl)propyl]benzamide is CCC(NC(=O)c1cccc(-c2cnn(CC(=O)NC)c2)c1)c1nccs1.
What is the InChIKey of 3-[1-[2-(methylamino)-2-oxoethyl]pyrazol-4-yl]-N-[1-(1,3-thiazol-2-yl)propyl]benzamide?
The InChIKey is HZVRRRMYTIQMRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N5O2S/c1-3-16(19-21-7-8-27-19)23-18(26)14-6-4-5-13(9-14)15-10-22-24(11-15)12-17(25)20-2/h4-11,16H,3,12H2,1-2H3,(H,20,25)(H,23,26).
What are the key properties of 3-[1-[2-(methylamino)-2-oxoethyl]pyrazol-4-yl]-N-[1-(1,3-thiazol-2-yl)propyl]benzamide?
3-[1-[2-(methylamino)-2-oxoethyl]pyrazol-4-yl]-N-[1-(1,3-thiazol-2-yl)propyl]benzamide has a molecular weight of 383.48 g/mol, XLogP of 2.63, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-[2-(methylamino)-2-oxoethyl]pyrazol-4-yl]-N-[1-(1,3-thiazol-2-yl)propyl]benzamide is sourced from PubChem (CID 122560909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).