2-ethyl-N-[(2R)-1-ethylsulfonylpropan-2-yl]-5-methylpyrazole-3-carboxamide

C12H21N3O3S — CID 96539646

IUPAC2-ethyl-N-[(2R)-1-ethylsulfonylpropan-2-yl]-5-methylpyrazole-3-carboxamide
SMILESCCn1nc(C)cc1C(=O)N[C@H](C)CS(=O)(=O)CC
InChIInChI=1S/C12H21N3O3S/c1-5-15-11(7-9(3)14-15)12(16)13-10(4)8-19(17,18)6-2/h7,10H,5-6,8H2,1-4H3,(H,13,16)/t10-/m1/s1
InChIKeyGJVDTGLPMIEUNY-SNVBAGLBSA-N
MW287.39 g/mol
LogP0.76
Rot. Bonds6

About 2-ethyl-N-[(2R)-1-ethylsulfonylpropan-2-yl]-5-methylpyrazole-3-carboxamide

2-ethyl-N-[(2R)-1-ethylsulfonylpropan-2-yl]-5-methylpyrazole-3-carboxamide (PubChem CID 96539646) has the molecular formula C12H21N3O3S and a molecular weight of 287.39 g/mol. Its IUPAC name is 2-ethyl-N-[(2R)-1-ethylsulfonylpropan-2-yl]-5-methylpyrazole-3-carboxamide.

Molecular Properties

Compound Name2-ethyl-N-[(2R)-1-ethylsulfonylpropan-2-yl]-5-methylpyrazole-3-carboxamide
PubChem CID96539646
Molecular FormulaC12H21N3O3S
Molecular Weight287.39 g/mol
Exact Mass287.13
IUPAC Name2-ethyl-N-[(2R)-1-ethylsulfonylpropan-2-yl]-5-methylpyrazole-3-carboxamide
SMILESCCn1nc(C)cc1C(=O)N[C@H](C)CS(=O)(=O)CC
InChIInChI=1S/C12H21N3O3S/c1-5-15-11(7-9(3)14-15)12(16)13-10(4)8-19(17,18)6-2/h7,10H,5-6,8H2,1-4H3,(H,13,16)/t10-/m1/s1
InChIKeyGJVDTGLPMIEUNY-SNVBAGLBSA-N
XLogP0.76
TPSA81.06 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.39
LogP ≤ 50.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-[(2-ethyl-5-methylpyrazole-3-carbonyl)amino]-2-methylbutanoic acid
CID 113415859
methyl 2-[(2-ethyl-5-methylpyrazole-3-carbonyl)amino]propanoate
CID 66122439
(2R)-2-[(2-ethyl-5-methylpyrazole-3-carbonyl)amino]-3-hydroxypropanoic acid
CID 80750940
2-ethyl-N-(1-iodo-3-methylbutan-2-yl)-5-methylpyrazole-3-carboxamide
CID 107860041
2-ethyl-N-[(2R)-1-hydroxybutan-2-yl]-5-methylpyrazole-3-carboxamide
CID 103919961
methyl 2-[(2-ethyl-5-methylpyrazole-3-carbonyl)amino]-3-methylbutanoate
CID 62732888
N-(1-aminobutan-2-yl)-2-ethyl-5-methylpyrazole-3-carboxamide
CID 66121273
N-(1-amino-4-methylpentan-2-yl)-2-ethyl-5-methylpyrazole-3-carboxamide
CID 66119698
3-[(1-ethyl-3-propan-2-ylpyrazole-5-carbonyl)amino]butanoic acid
CID 43360868
2-ethyl-N-(3-hydroxy-2-methylpropyl)-5-methylpyrazole-3-carboxamide
CID 66122042
(2S)-2-[(2-ethyl-5-methylpyrazole-3-carbonyl)amino]pentanedioic acid
CID 66126115
3-amino-N-butan-2-yl-1-ethylpyrazole-5-carboxamide
CID 122171294

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-N-[(2R)-1-ethylsulfonylpropan-2-yl]-5-methylpyrazole-3-carboxamide?
The IUPAC name of 2-ethyl-N-[(2R)-1-ethylsulfonylpropan-2-yl]-5-methylpyrazole-3-carboxamide (CID 96539646) is 2-ethyl-N-[(2R)-1-ethylsulfonylpropan-2-yl]-5-methylpyrazole-3-carboxamide.
What is the SMILES notation for 2-ethyl-N-[(2R)-1-ethylsulfonylpropan-2-yl]-5-methylpyrazole-3-carboxamide?
The canonical SMILES for 2-ethyl-N-[(2R)-1-ethylsulfonylpropan-2-yl]-5-methylpyrazole-3-carboxamide is CCn1nc(C)cc1C(=O)N[C@H](C)CS(=O)(=O)CC.
What is the InChIKey of 2-ethyl-N-[(2R)-1-ethylsulfonylpropan-2-yl]-5-methylpyrazole-3-carboxamide?
The InChIKey is GJVDTGLPMIEUNY-SNVBAGLBSA-N. The full InChI is InChI=1S/C12H21N3O3S/c1-5-15-11(7-9(3)14-15)12(16)13-10(4)8-19(17,18)6-2/h7,10H,5-6,8H2,1-4H3,(H,13,16)/t10-/m1/s1.
What are the key properties of 2-ethyl-N-[(2R)-1-ethylsulfonylpropan-2-yl]-5-methylpyrazole-3-carboxamide?
2-ethyl-N-[(2R)-1-ethylsulfonylpropan-2-yl]-5-methylpyrazole-3-carboxamide has a molecular weight of 287.39 g/mol, XLogP of 0.76, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-N-[(2R)-1-ethylsulfonylpropan-2-yl]-5-methylpyrazole-3-carboxamide is sourced from PubChem (CID 96539646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).