3-amino-5-methyl-N-(1-methylsulfonylpropan-2-yl)-1H-pyrazole-4-carboxamide

C9H16N4O3S — CID 64643635

IUPAC3-amino-5-methyl-N-(1-methylsulfonylpropan-2-yl)-1H-pyrazole-4-carboxamide
SMILESCc1[nH]nc(N)c1C(=O)NC(C)CS(C)(=O)=O
InChIInChI=1S/C9H16N4O3S/c1-5(4-17(3,15)16)11-9(14)7-6(2)12-13-8(7)10/h5H,4H2,1-3H3,(H,11,14)(H3,10,12,13)
InChIKeyQFUPEFPNZJETRG-UHFFFAOYSA-N
MW260.32 g/mol
LogP-0.54
Rot. Bonds4

About 3-amino-5-methyl-N-(1-methylsulfonylpropan-2-yl)-1H-pyrazole-4-carboxamide

3-amino-5-methyl-N-(1-methylsulfonylpropan-2-yl)-1H-pyrazole-4-carboxamide (PubChem CID 64643635) has the molecular formula C9H16N4O3S and a molecular weight of 260.32 g/mol. Its IUPAC name is 3-amino-5-methyl-N-(1-methylsulfonylpropan-2-yl)-1H-pyrazole-4-carboxamide.

Molecular Properties

Compound Name3-amino-5-methyl-N-(1-methylsulfonylpropan-2-yl)-1H-pyrazole-4-carboxamide
PubChem CID64643635
Molecular FormulaC9H16N4O3S
Molecular Weight260.32 g/mol
Exact Mass260.09
IUPAC Name3-amino-5-methyl-N-(1-methylsulfonylpropan-2-yl)-1H-pyrazole-4-carboxamide
SMILESCc1[nH]nc(N)c1C(=O)NC(C)CS(C)(=O)=O
InChIInChI=1S/C9H16N4O3S/c1-5(4-17(3,15)16)11-9(14)7-6(2)12-13-8(7)10/h5H,4H2,1-3H3,(H,11,14)(H3,10,12,13)
InChIKeyQFUPEFPNZJETRG-UHFFFAOYSA-N
XLogP-0.54
TPSA117.94 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.32
LogP ≤ 5-0.54
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

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3-amino-N',N',5-trimethyl-1H-pyrazole-4-carbohydrazide
CID 83023624
4-amino-N-[(2S)-1-hydroxypropan-2-yl]-5-methyl-1H-pyrazole-3-carboxamide
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3-[(3,5-dimethyl-1H-pyrazole-4-carbonyl)amino]butanoic acid
CID 43583226
3-amino-N-(5-amino-5-oxopentyl)-5-methyl-1H-pyrazole-4-carboxamide
CID 106240270
3-amino-5-methyl-N-(2,3,4,5,6-pentafluorophenyl)-1H-pyrazole-4-carboxamide
CID 115564788
3-amino-5-methyl-N-(3-methylsulfanylpropyl)-1H-pyrazole-4-carboxamide
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CID 64629768
5-methyl-4-(1-methylsulfonylpropan-2-ylsulfamoyl)-1H-pyrazole-3-carboxylic acid
CID 64630000
4-amino-5-methyl-N-(6-methylheptan-2-yl)-1H-pyrazole-3-carboxamide
CID 62082646
N-heptan-2-yl-5-methyl-4-sulfamoyl-1H-pyrazole-3-carboxamide
CID 65387069

Frequently Asked Questions

What is the IUPAC name of 3-amino-5-methyl-N-(1-methylsulfonylpropan-2-yl)-1H-pyrazole-4-carboxamide?
The IUPAC name of 3-amino-5-methyl-N-(1-methylsulfonylpropan-2-yl)-1H-pyrazole-4-carboxamide (CID 64643635) is 3-amino-5-methyl-N-(1-methylsulfonylpropan-2-yl)-1H-pyrazole-4-carboxamide.
What is the SMILES notation for 3-amino-5-methyl-N-(1-methylsulfonylpropan-2-yl)-1H-pyrazole-4-carboxamide?
The canonical SMILES for 3-amino-5-methyl-N-(1-methylsulfonylpropan-2-yl)-1H-pyrazole-4-carboxamide is Cc1[nH]nc(N)c1C(=O)NC(C)CS(C)(=O)=O.
What is the InChIKey of 3-amino-5-methyl-N-(1-methylsulfonylpropan-2-yl)-1H-pyrazole-4-carboxamide?
The InChIKey is QFUPEFPNZJETRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N4O3S/c1-5(4-17(3,15)16)11-9(14)7-6(2)12-13-8(7)10/h5H,4H2,1-3H3,(H,11,14)(H3,10,12,13).
What are the key properties of 3-amino-5-methyl-N-(1-methylsulfonylpropan-2-yl)-1H-pyrazole-4-carboxamide?
3-amino-5-methyl-N-(1-methylsulfonylpropan-2-yl)-1H-pyrazole-4-carboxamide has a molecular weight of 260.32 g/mol, XLogP of -0.54, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-5-methyl-N-(1-methylsulfonylpropan-2-yl)-1H-pyrazole-4-carboxamide is sourced from PubChem (CID 64643635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).