N-ethylsulfonyl-2-propan-2-ylpyrazole-3-carboxamide

C9H15N3O3S — CID 136515728

IUPACN-ethylsulfonyl-2-propan-2-ylpyrazole-3-carboxamide
SMILESCCS(=O)(=O)NC(=O)c1ccnn1C(C)C
InChIInChI=1S/C9H15N3O3S/c1-4-16(14,15)11-9(13)8-5-6-10-12(8)7(2)3/h5-7H,4H2,1-3H3,(H,11,13)
InChIKeyVPPJDDLQOQCCKT-UHFFFAOYSA-N
MW245.30 g/mol
LogP0.54
Rot. Bonds4

About N-ethylsulfonyl-2-propan-2-ylpyrazole-3-carboxamide

N-ethylsulfonyl-2-propan-2-ylpyrazole-3-carboxamide (PubChem CID 136515728) has the molecular formula C9H15N3O3S and a molecular weight of 245.30 g/mol. Its IUPAC name is N-ethylsulfonyl-2-propan-2-ylpyrazole-3-carboxamide.

Molecular Properties

Compound NameN-ethylsulfonyl-2-propan-2-ylpyrazole-3-carboxamide
PubChem CID136515728
Molecular FormulaC9H15N3O3S
Molecular Weight245.30 g/mol
Exact Mass245.08
IUPAC NameN-ethylsulfonyl-2-propan-2-ylpyrazole-3-carboxamide
SMILESCCS(=O)(=O)NC(=O)c1ccnn1C(C)C
InChIInChI=1S/C9H15N3O3S/c1-4-16(14,15)11-9(13)8-5-6-10-12(8)7(2)3/h5-7H,4H2,1-3H3,(H,11,13)
InChIKeyVPPJDDLQOQCCKT-UHFFFAOYSA-N
XLogP0.54
TPSA81.06 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.30
LogP ≤ 50.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-ethylsulfonyl-2-propan-2-ylpyrazole-3-carboxamide?
The IUPAC name of N-ethylsulfonyl-2-propan-2-ylpyrazole-3-carboxamide (CID 136515728) is N-ethylsulfonyl-2-propan-2-ylpyrazole-3-carboxamide.
What is the SMILES notation for N-ethylsulfonyl-2-propan-2-ylpyrazole-3-carboxamide?
The canonical SMILES for N-ethylsulfonyl-2-propan-2-ylpyrazole-3-carboxamide is CCS(=O)(=O)NC(=O)c1ccnn1C(C)C.
What is the InChIKey of N-ethylsulfonyl-2-propan-2-ylpyrazole-3-carboxamide?
The InChIKey is VPPJDDLQOQCCKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3O3S/c1-4-16(14,15)11-9(13)8-5-6-10-12(8)7(2)3/h5-7H,4H2,1-3H3,(H,11,13).
What are the key properties of N-ethylsulfonyl-2-propan-2-ylpyrazole-3-carboxamide?
N-ethylsulfonyl-2-propan-2-ylpyrazole-3-carboxamide has a molecular weight of 245.30 g/mol, XLogP of 0.54, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethylsulfonyl-2-propan-2-ylpyrazole-3-carboxamide is sourced from PubChem (CID 136515728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).