N-[[(3R)-oxolan-3-yl]methylsulfonyl]-5-propan-2-yl-1H-pyrazole-3-carboxamide

C12H19N3O4S — CID 99704181

IUPACN-[[(3R)-oxolan-3-yl]methylsulfonyl]-5-propan-2-yl-1H-pyrazole-3-carboxamide
SMILESCC(C)c1cc(C(=O)NS(=O)(=O)C[C@@H]2CCOC2)n[nH]1
InChIInChI=1S/C12H19N3O4S/c1-8(2)10-5-11(14-13-10)12(16)15-20(17,18)7-9-3-4-19-6-9/h5,8-9H,3-4,6-7H2,1-2H3,(H,13,14)(H,15,16)/t9-/m1/s1
InChIKeyJPAVLSGXIXRXMX-SECBINFHSA-N
MW301.37 g/mol
LogP0.63
Rot. Bonds5

About N-[[(3R)-oxolan-3-yl]methylsulfonyl]-5-propan-2-yl-1H-pyrazole-3-carboxamide

N-[[(3R)-oxolan-3-yl]methylsulfonyl]-5-propan-2-yl-1H-pyrazole-3-carboxamide (PubChem CID 99704181) has the molecular formula C12H19N3O4S and a molecular weight of 301.37 g/mol. Its IUPAC name is N-[[(3R)-oxolan-3-yl]methylsulfonyl]-5-propan-2-yl-1H-pyrazole-3-carboxamide.

Molecular Properties

Compound NameN-[[(3R)-oxolan-3-yl]methylsulfonyl]-5-propan-2-yl-1H-pyrazole-3-carboxamide
PubChem CID99704181
Molecular FormulaC12H19N3O4S
Molecular Weight301.37 g/mol
Exact Mass301.11
IUPAC NameN-[[(3R)-oxolan-3-yl]methylsulfonyl]-5-propan-2-yl-1H-pyrazole-3-carboxamide
SMILESCC(C)c1cc(C(=O)NS(=O)(=O)C[C@@H]2CCOC2)n[nH]1
InChIInChI=1S/C12H19N3O4S/c1-8(2)10-5-11(14-13-10)12(16)15-20(17,18)7-9-3-4-19-6-9/h5,8-9H,3-4,6-7H2,1-2H3,(H,13,14)(H,15,16)/t9-/m1/s1
InChIKeyJPAVLSGXIXRXMX-SECBINFHSA-N
XLogP0.63
TPSA101.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.37
LogP ≤ 50.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[[(3S)-oxolan-3-yl]methylsulfonyl]-5-propyl-1H-pyrazole-3-carboxamide
CID 99704126
5-(difluoromethyl)-N-[2-(oxolan-3-yl)ethyl]-1H-pyrazole-3-carboxamide
CID 121495779
N-(oxolan-2-ylmethyl)-5-propan-2-yl-1H-pyrazole-3-carboxamide
CID 47244860
5-(4-methylphenyl)-N-(oxolan-3-ylmethylsulfonyl)-1,3-oxazole-4-carboxamide
CID 102560879
N-(1-methoxypropan-2-ylsulfonyl)-5-(oxan-4-yl)-1H-pyrazole-3-carboxamide
CID 138048472
N-(oxolan-3-ylmethylsulfonyl)-4,5,6,7-tetrahydro-1,2-benzoxazole-3-carboxamide
CID 119033627
5-cyclopropyl-N-(oxolan-3-ylmethylsulfonyl)-2-phenyl-1,3-oxazole-4-carboxamide
CID 102560873
N-(oxan-3-ylmethylsulfonyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole-2-carboxamide
CID 138001801
N-(1-morpholin-4-yl-1-oxopropan-2-yl)-1-(oxolan-3-yl)methanesulfonamide
CID 127300025
3-cyclohexyl-1-methyl-N-(oxan-3-ylmethylsulfonyl)pyrazole-4-carboxamide
CID 136542046
N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-5-propan-2-yl-1H-pyrazole-3-carboxamide
CID 91639549
3-(2-chlorophenyl)-5-methyl-N-[[(3R)-oxolan-3-yl]methylsulfonyl]-1,2-oxazole-4-carboxamide
CID 99704153

Frequently Asked Questions

What is the IUPAC name of N-[[(3R)-oxolan-3-yl]methylsulfonyl]-5-propan-2-yl-1H-pyrazole-3-carboxamide?
The IUPAC name of N-[[(3R)-oxolan-3-yl]methylsulfonyl]-5-propan-2-yl-1H-pyrazole-3-carboxamide (CID 99704181) is N-[[(3R)-oxolan-3-yl]methylsulfonyl]-5-propan-2-yl-1H-pyrazole-3-carboxamide.
What is the SMILES notation for N-[[(3R)-oxolan-3-yl]methylsulfonyl]-5-propan-2-yl-1H-pyrazole-3-carboxamide?
The canonical SMILES for N-[[(3R)-oxolan-3-yl]methylsulfonyl]-5-propan-2-yl-1H-pyrazole-3-carboxamide is CC(C)c1cc(C(=O)NS(=O)(=O)C[C@@H]2CCOC2)n[nH]1.
What is the InChIKey of N-[[(3R)-oxolan-3-yl]methylsulfonyl]-5-propan-2-yl-1H-pyrazole-3-carboxamide?
The InChIKey is JPAVLSGXIXRXMX-SECBINFHSA-N. The full InChI is InChI=1S/C12H19N3O4S/c1-8(2)10-5-11(14-13-10)12(16)15-20(17,18)7-9-3-4-19-6-9/h5,8-9H,3-4,6-7H2,1-2H3,(H,13,14)(H,15,16)/t9-/m1/s1.
What are the key properties of N-[[(3R)-oxolan-3-yl]methylsulfonyl]-5-propan-2-yl-1H-pyrazole-3-carboxamide?
N-[[(3R)-oxolan-3-yl]methylsulfonyl]-5-propan-2-yl-1H-pyrazole-3-carboxamide has a molecular weight of 301.37 g/mol, XLogP of 0.63, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(3R)-oxolan-3-yl]methylsulfonyl]-5-propan-2-yl-1H-pyrazole-3-carboxamide is sourced from PubChem (CID 99704181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).