1-methyl-N-[(2S)-4-methylpentan-2-yl]sulfonyl-5-propan-2-ylpyrazole-3-carboxamide

C14H25N3O3S — CID 97220044

IUPAC1-methyl-N-[(2S)-4-methylpentan-2-yl]sulfonyl-5-propan-2-ylpyrazole-3-carboxamide
SMILESCC(C)C[C@H](C)S(=O)(=O)NC(=O)c1cc(C(C)C)n(C)n1
InChIInChI=1S/C14H25N3O3S/c1-9(2)7-11(5)21(19,20)16-14(18)12-8-13(10(3)4)17(6)15-12/h8-11H,7H2,1-6H3,(H,16,18)/t11-/m0/s1
InChIKeyFAPHGBGBLOTFHT-NSHDSACASA-N
MW315.44 g/mol
LogP2.04
Rot. Bonds6

About 1-methyl-N-[(2S)-4-methylpentan-2-yl]sulfonyl-5-propan-2-ylpyrazole-3-carboxamide

1-methyl-N-[(2S)-4-methylpentan-2-yl]sulfonyl-5-propan-2-ylpyrazole-3-carboxamide (PubChem CID 97220044) has the molecular formula C14H25N3O3S and a molecular weight of 315.44 g/mol. Its IUPAC name is 1-methyl-N-[(2S)-4-methylpentan-2-yl]sulfonyl-5-propan-2-ylpyrazole-3-carboxamide.

Molecular Properties

Compound Name1-methyl-N-[(2S)-4-methylpentan-2-yl]sulfonyl-5-propan-2-ylpyrazole-3-carboxamide
PubChem CID97220044
Molecular FormulaC14H25N3O3S
Molecular Weight315.44 g/mol
Exact Mass315.16
IUPAC Name1-methyl-N-[(2S)-4-methylpentan-2-yl]sulfonyl-5-propan-2-ylpyrazole-3-carboxamide
SMILESCC(C)C[C@H](C)S(=O)(=O)NC(=O)c1cc(C(C)C)n(C)n1
InChIInChI=1S/C14H25N3O3S/c1-9(2)7-11(5)21(19,20)16-14(18)12-8-13(10(3)4)17(6)15-12/h8-11H,7H2,1-6H3,(H,16,18)/t11-/m0/s1
InChIKeyFAPHGBGBLOTFHT-NSHDSACASA-N
XLogP2.04
TPSA81.06 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.44
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-N-[(2S)-4-methylpentan-2-yl]sulfonyl-5-propan-2-ylpyrazole-3-carboxamide?
The IUPAC name of 1-methyl-N-[(2S)-4-methylpentan-2-yl]sulfonyl-5-propan-2-ylpyrazole-3-carboxamide (CID 97220044) is 1-methyl-N-[(2S)-4-methylpentan-2-yl]sulfonyl-5-propan-2-ylpyrazole-3-carboxamide.
What is the SMILES notation for 1-methyl-N-[(2S)-4-methylpentan-2-yl]sulfonyl-5-propan-2-ylpyrazole-3-carboxamide?
The canonical SMILES for 1-methyl-N-[(2S)-4-methylpentan-2-yl]sulfonyl-5-propan-2-ylpyrazole-3-carboxamide is CC(C)C[C@H](C)S(=O)(=O)NC(=O)c1cc(C(C)C)n(C)n1.
What is the InChIKey of 1-methyl-N-[(2S)-4-methylpentan-2-yl]sulfonyl-5-propan-2-ylpyrazole-3-carboxamide?
The InChIKey is FAPHGBGBLOTFHT-NSHDSACASA-N. The full InChI is InChI=1S/C14H25N3O3S/c1-9(2)7-11(5)21(19,20)16-14(18)12-8-13(10(3)4)17(6)15-12/h8-11H,7H2,1-6H3,(H,16,18)/t11-/m0/s1.
What are the key properties of 1-methyl-N-[(2S)-4-methylpentan-2-yl]sulfonyl-5-propan-2-ylpyrazole-3-carboxamide?
1-methyl-N-[(2S)-4-methylpentan-2-yl]sulfonyl-5-propan-2-ylpyrazole-3-carboxamide has a molecular weight of 315.44 g/mol, XLogP of 2.04, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-N-[(2S)-4-methylpentan-2-yl]sulfonyl-5-propan-2-ylpyrazole-3-carboxamide is sourced from PubChem (CID 97220044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).