1-tert-butyl-5-methyl-N-(1-methylsulfonylpiperidin-3-yl)pyrazole-3-carboxamide

C15H26N4O3S — CID 47910303

IUPAC1-tert-butyl-5-methyl-N-(1-methylsulfonylpiperidin-3-yl)pyrazole-3-carboxamide
SMILESCc1cc(C(=O)NC2CCCN(S(C)(=O)=O)C2)nn1C(C)(C)C
InChIInChI=1S/C15H26N4O3S/c1-11-9-13(17-19(11)15(2,3)4)14(20)16-12-7-6-8-18(10-12)23(5,21)22/h9,12H,6-8,10H2,1-5H3,(H,16,20)
InChIKeyCNBYDASWCAKRHW-UHFFFAOYSA-N
MW342.47 g/mol
LogP1.10
Rot. Bonds3

About 1-tert-butyl-5-methyl-N-(1-methylsulfonylpiperidin-3-yl)pyrazole-3-carboxamide

1-tert-butyl-5-methyl-N-(1-methylsulfonylpiperidin-3-yl)pyrazole-3-carboxamide (PubChem CID 47910303) has the molecular formula C15H26N4O3S and a molecular weight of 342.47 g/mol. Its IUPAC name is 1-tert-butyl-5-methyl-N-(1-methylsulfonylpiperidin-3-yl)pyrazole-3-carboxamide.

Molecular Properties

Compound Name1-tert-butyl-5-methyl-N-(1-methylsulfonylpiperidin-3-yl)pyrazole-3-carboxamide
PubChem CID47910303
Molecular FormulaC15H26N4O3S
Molecular Weight342.47 g/mol
Exact Mass342.17
IUPAC Name1-tert-butyl-5-methyl-N-(1-methylsulfonylpiperidin-3-yl)pyrazole-3-carboxamide
SMILESCc1cc(C(=O)NC2CCCN(S(C)(=O)=O)C2)nn1C(C)(C)C
InChIInChI=1S/C15H26N4O3S/c1-11-9-13(17-19(11)15(2,3)4)14(20)16-12-7-6-8-18(10-12)23(5,21)22/h9,12H,6-8,10H2,1-5H3,(H,16,20)
InChIKeyCNBYDASWCAKRHW-UHFFFAOYSA-N
XLogP1.10
TPSA84.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.47
LogP ≤ 51.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(2-tert-butyl-5-methylpyrazole-3-carbonyl)-N-cyclopropylsulfonyl-3-methylpiperidine-3-carboxamide
CID 46943199
1-(1-tert-butyl-5-methylpyrazole-3-carbonyl)-N-cyclopropylsulfonyl-3-methylpiperidine-3-carboxamide
CID 46943688
1-(2-tert-butyl-5-methylpyrazole-3-carbonyl)-3-methyl-N-propylpiperidine-3-carboxamide
CID 46944163
1-(1-tert-butyl-5-methylpyrazole-3-carbonyl)-3-methyl-N-propylsulfonylpiperidine-3-carboxamide
CID 49789662
1-(1-tert-butyl-5-methylpyrazole-3-carbonyl)-N-ethyl-3-methylpiperidine-3-carboxamide
CID 49795728
1-tert-butyl-5-methyl-N-(2-piperidin-1-ylethyl)pyrazole-3-carboxamide
CID 53501404
1-tert-butyl-5-methyl-N'-methylsulfonylpyrazole-3-carbohydrazide
CID 2809455
N-Isobutyl-1,5-dimethyl-1H-pyrazole-3-carboxamide
CID 19279617
4-(1-ethyl-3-methyl-1H-pyrazole-5-carbonyl)-3,3-dimethylpiperazin-2-one
CID 25854652
N-[1-[2-(3,5-dimethylpyrazol-1-yl)acetyl]piperidin-4-yl]methanesulfonamide
CID 45804050
1-(1-tert-butyl-5-methylpyrazole-3-carbonyl)-3-methyl-N-propylpiperidine-3-carboxamide
CID 49790470
N-butyl-1-(1-tert-butyl-5-methylpyrazole-3-carbonyl)-2-methylazetidine-2-carboxamide
CID 49792568

Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-5-methyl-N-(1-methylsulfonylpiperidin-3-yl)pyrazole-3-carboxamide?
The IUPAC name of 1-tert-butyl-5-methyl-N-(1-methylsulfonylpiperidin-3-yl)pyrazole-3-carboxamide (CID 47910303) is 1-tert-butyl-5-methyl-N-(1-methylsulfonylpiperidin-3-yl)pyrazole-3-carboxamide.
What is the SMILES notation for 1-tert-butyl-5-methyl-N-(1-methylsulfonylpiperidin-3-yl)pyrazole-3-carboxamide?
The canonical SMILES for 1-tert-butyl-5-methyl-N-(1-methylsulfonylpiperidin-3-yl)pyrazole-3-carboxamide is Cc1cc(C(=O)NC2CCCN(S(C)(=O)=O)C2)nn1C(C)(C)C.
What is the InChIKey of 1-tert-butyl-5-methyl-N-(1-methylsulfonylpiperidin-3-yl)pyrazole-3-carboxamide?
The InChIKey is CNBYDASWCAKRHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N4O3S/c1-11-9-13(17-19(11)15(2,3)4)14(20)16-12-7-6-8-18(10-12)23(5,21)22/h9,12H,6-8,10H2,1-5H3,(H,16,20).
What are the key properties of 1-tert-butyl-5-methyl-N-(1-methylsulfonylpiperidin-3-yl)pyrazole-3-carboxamide?
1-tert-butyl-5-methyl-N-(1-methylsulfonylpiperidin-3-yl)pyrazole-3-carboxamide has a molecular weight of 342.47 g/mol, XLogP of 1.10, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-5-methyl-N-(1-methylsulfonylpiperidin-3-yl)pyrazole-3-carboxamide is sourced from PubChem (CID 47910303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).