1-[(2R)-butan-2-yl]-N-(cyclobutylmethylsulfonyl)-5-cyclopropylpyrazole-4-carboxamide

C16H25N3O3S — CID 97101008

IUPAC1-[(2R)-butan-2-yl]-N-(cyclobutylmethylsulfonyl)-5-cyclopropylpyrazole-4-carboxamide
SMILESCC[C@@H](C)n1ncc(C(=O)NS(=O)(=O)CC2CCC2)c1C1CC1
InChIInChI=1S/C16H25N3O3S/c1-3-11(2)19-15(13-7-8-13)14(9-17-19)16(20)18-23(21,22)10-12-5-4-6-12/h9,11-13H,3-8,10H2,1-2H3,(H,18,20)/t11-/m1/s1
InChIKeyVDVDZGBEYJDKBK-LLVKDONJSA-N
MW339.46 g/mol
LogP2.59
Rot. Bonds7

About 1-[(2R)-butan-2-yl]-N-(cyclobutylmethylsulfonyl)-5-cyclopropylpyrazole-4-carboxamide

1-[(2R)-butan-2-yl]-N-(cyclobutylmethylsulfonyl)-5-cyclopropylpyrazole-4-carboxamide (PubChem CID 97101008) has the molecular formula C16H25N3O3S and a molecular weight of 339.46 g/mol. Its IUPAC name is 1-[(2R)-butan-2-yl]-N-(cyclobutylmethylsulfonyl)-5-cyclopropylpyrazole-4-carboxamide.

Molecular Properties

Compound Name1-[(2R)-butan-2-yl]-N-(cyclobutylmethylsulfonyl)-5-cyclopropylpyrazole-4-carboxamide
PubChem CID97101008
Molecular FormulaC16H25N3O3S
Molecular Weight339.46 g/mol
Exact Mass339.16
IUPAC Name1-[(2R)-butan-2-yl]-N-(cyclobutylmethylsulfonyl)-5-cyclopropylpyrazole-4-carboxamide
SMILESCC[C@@H](C)n1ncc(C(=O)NS(=O)(=O)CC2CCC2)c1C1CC1
InChIInChI=1S/C16H25N3O3S/c1-3-11(2)19-15(13-7-8-13)14(9-17-19)16(20)18-23(21,22)10-12-5-4-6-12/h9,11-13H,3-8,10H2,1-2H3,(H,18,20)/t11-/m1/s1
InChIKeyVDVDZGBEYJDKBK-LLVKDONJSA-N
XLogP2.59
TPSA81.06 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.46
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[(2R)-butan-2-yl]-N-(cyclobutylmethylsulfonyl)-5-cyclopropylpyrazole-4-carboxamide?
The IUPAC name of 1-[(2R)-butan-2-yl]-N-(cyclobutylmethylsulfonyl)-5-cyclopropylpyrazole-4-carboxamide (CID 97101008) is 1-[(2R)-butan-2-yl]-N-(cyclobutylmethylsulfonyl)-5-cyclopropylpyrazole-4-carboxamide.
What is the SMILES notation for 1-[(2R)-butan-2-yl]-N-(cyclobutylmethylsulfonyl)-5-cyclopropylpyrazole-4-carboxamide?
The canonical SMILES for 1-[(2R)-butan-2-yl]-N-(cyclobutylmethylsulfonyl)-5-cyclopropylpyrazole-4-carboxamide is CC[C@@H](C)n1ncc(C(=O)NS(=O)(=O)CC2CCC2)c1C1CC1.
What is the InChIKey of 1-[(2R)-butan-2-yl]-N-(cyclobutylmethylsulfonyl)-5-cyclopropylpyrazole-4-carboxamide?
The InChIKey is VDVDZGBEYJDKBK-LLVKDONJSA-N. The full InChI is InChI=1S/C16H25N3O3S/c1-3-11(2)19-15(13-7-8-13)14(9-17-19)16(20)18-23(21,22)10-12-5-4-6-12/h9,11-13H,3-8,10H2,1-2H3,(H,18,20)/t11-/m1/s1.
What are the key properties of 1-[(2R)-butan-2-yl]-N-(cyclobutylmethylsulfonyl)-5-cyclopropylpyrazole-4-carboxamide?
1-[(2R)-butan-2-yl]-N-(cyclobutylmethylsulfonyl)-5-cyclopropylpyrazole-4-carboxamide has a molecular weight of 339.46 g/mol, XLogP of 2.59, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2R)-butan-2-yl]-N-(cyclobutylmethylsulfonyl)-5-cyclopropylpyrazole-4-carboxamide is sourced from PubChem (CID 97101008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).