5-methyl-N-[(E)-3-methylsulfonylprop-2-enyl]-1H-pyrazole-3-carboxamide

C9H13N3O3S — CID 139018658

IUPAC5-methyl-N-[(E)-3-methylsulfonylprop-2-enyl]-1H-pyrazole-3-carboxamide
SMILESCc1cc(C(=O)NC/C=C/S(C)(=O)=O)n[nH]1
InChIInChI=1S/C9H13N3O3S/c1-7-6-8(12-11-7)9(13)10-4-3-5-16(2,14)15/h3,5-6H,4H2,1-2H3,(H,10,13)(H,11,12)/b5-3+
InChIKeyHDYKRLPQYOSECR-HWKANZROSA-N
MW243.29 g/mol
LogP0.01
Rot. Bonds4

About 5-methyl-N-[(E)-3-methylsulfonylprop-2-enyl]-1H-pyrazole-3-carboxamide

5-methyl-N-[(E)-3-methylsulfonylprop-2-enyl]-1H-pyrazole-3-carboxamide (PubChem CID 139018658) has the molecular formula C9H13N3O3S and a molecular weight of 243.29 g/mol. Its IUPAC name is 5-methyl-N-[(E)-3-methylsulfonylprop-2-enyl]-1H-pyrazole-3-carboxamide.

Molecular Properties

Compound Name5-methyl-N-[(E)-3-methylsulfonylprop-2-enyl]-1H-pyrazole-3-carboxamide
PubChem CID139018658
Molecular FormulaC9H13N3O3S
Molecular Weight243.29 g/mol
Exact Mass243.07
IUPAC Name5-methyl-N-[(E)-3-methylsulfonylprop-2-enyl]-1H-pyrazole-3-carboxamide
SMILESCc1cc(C(=O)NC/C=C/S(C)(=O)=O)n[nH]1
InChIInChI=1S/C9H13N3O3S/c1-7-6-8(12-11-7)9(13)10-4-3-5-16(2,14)15/h3,5-6H,4H2,1-2H3,(H,10,13)(H,11,12)/b5-3+
InChIKeyHDYKRLPQYOSECR-HWKANZROSA-N
XLogP0.01
TPSA91.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.29
LogP ≤ 50.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-fluoroethyl)-5-methyl-1H-pyrazole-3-carboxamide
CID 130978682
N-(5-hydroxypentyl)-5-methyl-1H-pyrazole-3-carboxamide
CID 110484276
2,2-dimethyl-3-[(5-methyl-1H-pyrazole-3-carbonyl)amino]propanoic acid
CID 81367172
2-hydroxy-2-methyl-3-[(5-methyl-1H-pyrazole-3-carbonyl)amino]propanoic acid
CID 66174202
N-(6-bromohexyl)-5-methyl-1H-pyrazole-3-carboxamide
CID 141446683
N-[4-(diethylamino)butyl]-5-methyl-1H-pyrazole-3-carboxamide
CID 110484320
1-[2-[(5-methyl-1H-pyrazole-3-carbonyl)amino]ethyl]imidazole-4-carboxylic acid
CID 107497339
N-methoxy-5-methyl-1H-pyrazole-3-carboxamide
CID 126988470
N'-[2-(diethylamino)ethyl]-5-methyl-1H-pyrazole-3-carbohydrazide
CID 3607698
methyl 5-[(5-methyl-1H-pyrazole-3-carbonyl)amino]pentanoate
CID 86848865
N,N',5-trimethyl-1H-pyrazole-3-carbohydrazide
CID 13405307
N-[2-(4-bromophenyl)ethyl]-5-methyl-1H-pyrazole-3-carboxamide
CID 112529158

Frequently Asked Questions

What is the IUPAC name of 5-methyl-N-[(E)-3-methylsulfonylprop-2-enyl]-1H-pyrazole-3-carboxamide?
The IUPAC name of 5-methyl-N-[(E)-3-methylsulfonylprop-2-enyl]-1H-pyrazole-3-carboxamide (CID 139018658) is 5-methyl-N-[(E)-3-methylsulfonylprop-2-enyl]-1H-pyrazole-3-carboxamide.
What is the SMILES notation for 5-methyl-N-[(E)-3-methylsulfonylprop-2-enyl]-1H-pyrazole-3-carboxamide?
The canonical SMILES for 5-methyl-N-[(E)-3-methylsulfonylprop-2-enyl]-1H-pyrazole-3-carboxamide is Cc1cc(C(=O)NC/C=C/S(C)(=O)=O)n[nH]1.
What is the InChIKey of 5-methyl-N-[(E)-3-methylsulfonylprop-2-enyl]-1H-pyrazole-3-carboxamide?
The InChIKey is HDYKRLPQYOSECR-HWKANZROSA-N. The full InChI is InChI=1S/C9H13N3O3S/c1-7-6-8(12-11-7)9(13)10-4-3-5-16(2,14)15/h3,5-6H,4H2,1-2H3,(H,10,13)(H,11,12)/b5-3+.
What are the key properties of 5-methyl-N-[(E)-3-methylsulfonylprop-2-enyl]-1H-pyrazole-3-carboxamide?
5-methyl-N-[(E)-3-methylsulfonylprop-2-enyl]-1H-pyrazole-3-carboxamide has a molecular weight of 243.29 g/mol, XLogP of 0.01, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-N-[(E)-3-methylsulfonylprop-2-enyl]-1H-pyrazole-3-carboxamide is sourced from PubChem (CID 139018658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).