2-amino-4-methylsulfonyl-N-(1H-pyrazol-4-yl)butanamide

C8H14N4O3S — CID 43540251

IUPAC2-amino-4-methylsulfonyl-N-(1H-pyrazol-4-yl)butanamide
SMILESCS(=O)(=O)CCC(N)C(=O)Nc1cn[nH]c1
InChIInChI=1S/C8H14N4O3S/c1-16(14,15)3-2-7(9)8(13)12-6-4-10-11-5-6/h4-5,7H,2-3,9H2,1H3,(H,10,11)(H,12,13)
InChIKeyFFDSCQIUZSAIBA-UHFFFAOYSA-N
MW246.29 g/mol
LogP-0.89
Rot. Bonds5

About 2-amino-4-methylsulfonyl-N-(1H-pyrazol-4-yl)butanamide

2-amino-4-methylsulfonyl-N-(1H-pyrazol-4-yl)butanamide (PubChem CID 43540251) has the molecular formula C8H14N4O3S and a molecular weight of 246.29 g/mol. Its IUPAC name is 2-amino-4-methylsulfonyl-N-(1H-pyrazol-4-yl)butanamide.

Molecular Properties

Compound Name2-amino-4-methylsulfonyl-N-(1H-pyrazol-4-yl)butanamide
PubChem CID43540251
Molecular FormulaC8H14N4O3S
Molecular Weight246.29 g/mol
Exact Mass246.08
IUPAC Name2-amino-4-methylsulfonyl-N-(1H-pyrazol-4-yl)butanamide
SMILESCS(=O)(=O)CCC(N)C(=O)Nc1cn[nH]c1
InChIInChI=1S/C8H14N4O3S/c1-16(14,15)3-2-7(9)8(13)12-6-4-10-11-5-6/h4-5,7H,2-3,9H2,1H3,(H,10,11)(H,12,13)
InChIKeyFFDSCQIUZSAIBA-UHFFFAOYSA-N
XLogP-0.89
TPSA117.94 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.29
LogP ≤ 5-0.89
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-(1H-pyrazol-4-yl)-4-(3-sulfanylpropanoylamino)butanamide
CID 177681374
(2S)-N-(5-chloro-1H-pyrazol-4-yl)-2-methyl-3-methylsulfonylpropanamide
CID 140242896
N-(5-chloro-1H-pyrazol-4-yl)-2-methylsulfonylpropanamide
CID 164591606
4-(4-methyl-2-oxo-1,3-thiazol-3-yl)-N-(1H-pyrazol-4-yl)butanamide
CID 43429616
1,1-dioxo-N-(1H-pyrazol-4-yl)thiolane-3-carboxamide
CID 43429642
2-methylsulfanyl-N-(1H-pyrazol-4-yl)acetamide
CID 43429726
2-(Tert-butylthio)-N-(1h-pyrazol-4-yl)acetamide
CID 43429754
3-methylsulfanyl-N-(1H-pyrazol-4-yl)propanamide
CID 43429755
1-methylsulfonyl-N-(1H-pyrazol-4-yl)pyrrolidine-2-carboxamide
CID 43429790
3-(2-amino-2-oxoethyl)sulfanyl-N-(1H-pyrazol-4-yl)propanamide
CID 43429799
2-butylsulfanyl-N-(1H-pyrazol-4-yl)acetamide
CID 43429816
2-propan-2-ylsulfanyl-N-(1H-pyrazol-4-yl)acetamide
CID 43429817

Frequently Asked Questions

What is the IUPAC name of 2-amino-4-methylsulfonyl-N-(1H-pyrazol-4-yl)butanamide?
The IUPAC name of 2-amino-4-methylsulfonyl-N-(1H-pyrazol-4-yl)butanamide (CID 43540251) is 2-amino-4-methylsulfonyl-N-(1H-pyrazol-4-yl)butanamide.
What is the SMILES notation for 2-amino-4-methylsulfonyl-N-(1H-pyrazol-4-yl)butanamide?
The canonical SMILES for 2-amino-4-methylsulfonyl-N-(1H-pyrazol-4-yl)butanamide is CS(=O)(=O)CCC(N)C(=O)Nc1cn[nH]c1.
What is the InChIKey of 2-amino-4-methylsulfonyl-N-(1H-pyrazol-4-yl)butanamide?
The InChIKey is FFDSCQIUZSAIBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N4O3S/c1-16(14,15)3-2-7(9)8(13)12-6-4-10-11-5-6/h4-5,7H,2-3,9H2,1H3,(H,10,11)(H,12,13).
What are the key properties of 2-amino-4-methylsulfonyl-N-(1H-pyrazol-4-yl)butanamide?
2-amino-4-methylsulfonyl-N-(1H-pyrazol-4-yl)butanamide has a molecular weight of 246.29 g/mol, XLogP of -0.89, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-methylsulfonyl-N-(1H-pyrazol-4-yl)butanamide is sourced from PubChem (CID 43540251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).