1-benzyl-N-[(2S)-1-methoxypropan-2-yl]-3-thiophen-2-ylpyrazole-4-carboxamide

C19H21N3O2S — CID 42282130

IUPAC1-benzyl-N-[(2S)-1-methoxypropan-2-yl]-3-thiophen-2-ylpyrazole-4-carboxamide
SMILESCOC[C@H](C)NC(=O)c1cn(Cc2ccccc2)nc1-c1cccs1
InChIInChI=1S/C19H21N3O2S/c1-14(13-24-2)20-19(23)16-12-22(11-15-7-4-3-5-8-15)21-18(16)17-9-6-10-25-17/h3-10,12,14H,11,13H2,1-2H3,(H,20,23)/t14-/m0/s1
InChIKeyTUJORIGSIOJVOW-AWEZNQCLSA-N
MW355.46 g/mol
LogP3.42
Rot. Bonds7

About 1-benzyl-N-[(2S)-1-methoxypropan-2-yl]-3-thiophen-2-ylpyrazole-4-carboxamide

1-benzyl-N-[(2S)-1-methoxypropan-2-yl]-3-thiophen-2-ylpyrazole-4-carboxamide (PubChem CID 42282130) has the molecular formula C19H21N3O2S and a molecular weight of 355.46 g/mol. Its IUPAC name is 1-benzyl-N-[(2S)-1-methoxypropan-2-yl]-3-thiophen-2-ylpyrazole-4-carboxamide.

Molecular Properties

Compound Name1-benzyl-N-[(2S)-1-methoxypropan-2-yl]-3-thiophen-2-ylpyrazole-4-carboxamide
PubChem CID42282130
Molecular FormulaC19H21N3O2S
Molecular Weight355.46 g/mol
Exact Mass355.14
IUPAC Name1-benzyl-N-[(2S)-1-methoxypropan-2-yl]-3-thiophen-2-ylpyrazole-4-carboxamide
SMILESCOC[C@H](C)NC(=O)c1cn(Cc2ccccc2)nc1-c1cccs1
InChIInChI=1S/C19H21N3O2S/c1-14(13-24-2)20-19(23)16-12-22(11-15-7-4-3-5-8-15)21-18(16)17-9-6-10-25-17/h3-10,12,14H,11,13H2,1-2H3,(H,20,23)/t14-/m0/s1
InChIKeyTUJORIGSIOJVOW-AWEZNQCLSA-N
XLogP3.42
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.46
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-benzyl-N-propan-2-yl-3-thiophen-2-ylpyrazole-4-carboxamide
CID 42282124
N-[(2R)-1-methoxypropan-2-yl]-1-phenyl-3-thiophen-2-ylpyrazole-4-carboxamide
CID 42282155
1-benzyl-N-[3-(2-methylpropoxy)propyl]-3-thiophen-2-ylpyrazole-4-carboxamide
CID 24628977
1-[(Z)-(1-benzyl-3-thiophen-2-ylpyrazol-4-yl)methylideneamino]-3-[(2S)-1-methoxypropan-2-yl]thiourea
CID 9176218
1-benzyl-N-[(4-methoxyphenyl)methyl]-3-thiophen-2-ylpyrazole-4-carboxamide
CID 9208106
1-benzyl-3-thiophen-2-yl-N-(thiophen-2-ylmethyl)pyrazole-4-carboxamide
CID 9360117
1-benzyl-N-[2-(dimethylamino)-2-oxoethyl]-3-thiophen-2-ylpyrazole-4-carboxamide
CID 9480877
1-benzyl-N'-(2-methylfuran-3-carbonyl)-3-thiophen-2-ylpyrazole-4-carbohydrazide
CID 9326455
N'-(1-benzyl-3-thiophen-2-ylpyrazole-4-carbonyl)pyridine-2-carbohydrazide
CID 9033256
N-(3-anilinopropyl)-1-benzyl-3-thiophen-2-ylpyrazole-4-carboxamide
CID 56586324
4-[(1-methyl-3-thiophen-2-ylpyrazole-4-carbonyl)amino]pentanoic acid
CID 120534870
1-benzyl-N-(1-propan-2-ylpyrazolo[3,4-b]pyridin-5-yl)-3-thiophen-2-ylpyrazole-4-carboxamide
CID 26956282

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-N-[(2S)-1-methoxypropan-2-yl]-3-thiophen-2-ylpyrazole-4-carboxamide?
The IUPAC name of 1-benzyl-N-[(2S)-1-methoxypropan-2-yl]-3-thiophen-2-ylpyrazole-4-carboxamide (CID 42282130) is 1-benzyl-N-[(2S)-1-methoxypropan-2-yl]-3-thiophen-2-ylpyrazole-4-carboxamide.
What is the SMILES notation for 1-benzyl-N-[(2S)-1-methoxypropan-2-yl]-3-thiophen-2-ylpyrazole-4-carboxamide?
The canonical SMILES for 1-benzyl-N-[(2S)-1-methoxypropan-2-yl]-3-thiophen-2-ylpyrazole-4-carboxamide is COC[C@H](C)NC(=O)c1cn(Cc2ccccc2)nc1-c1cccs1.
What is the InChIKey of 1-benzyl-N-[(2S)-1-methoxypropan-2-yl]-3-thiophen-2-ylpyrazole-4-carboxamide?
The InChIKey is TUJORIGSIOJVOW-AWEZNQCLSA-N. The full InChI is InChI=1S/C19H21N3O2S/c1-14(13-24-2)20-19(23)16-12-22(11-15-7-4-3-5-8-15)21-18(16)17-9-6-10-25-17/h3-10,12,14H,11,13H2,1-2H3,(H,20,23)/t14-/m0/s1.
What are the key properties of 1-benzyl-N-[(2S)-1-methoxypropan-2-yl]-3-thiophen-2-ylpyrazole-4-carboxamide?
1-benzyl-N-[(2S)-1-methoxypropan-2-yl]-3-thiophen-2-ylpyrazole-4-carboxamide has a molecular weight of 355.46 g/mol, XLogP of 3.42, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-N-[(2S)-1-methoxypropan-2-yl]-3-thiophen-2-ylpyrazole-4-carboxamide is sourced from PubChem (CID 42282130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).