N-[(5-methyl-1H-pyrazol-4-yl)methyl]-2-methylsulfonylpropanamide

C9H15N3O3S — CID 49491357

IUPACN-[(5-methyl-1H-pyrazol-4-yl)methyl]-2-methylsulfonylpropanamide
SMILESCc1[nH]ncc1CNC(=O)C(C)S(C)(=O)=O
InChIInChI=1S/C9H15N3O3S/c1-6-8(5-11-12-6)4-10-9(13)7(2)16(3,14)15/h5,7H,4H2,1-3H3,(H,10,13)(H,11,12)
InChIKeyPVYOXAYUDKKYSP-UHFFFAOYSA-N
MW245.30 g/mol
LogP-0.23
Rot. Bonds4

About N-[(5-methyl-1H-pyrazol-4-yl)methyl]-2-methylsulfonylpropanamide

N-[(5-methyl-1H-pyrazol-4-yl)methyl]-2-methylsulfonylpropanamide (PubChem CID 49491357) has the molecular formula C9H15N3O3S and a molecular weight of 245.30 g/mol. Its IUPAC name is N-[(5-methyl-1H-pyrazol-4-yl)methyl]-2-methylsulfonylpropanamide.

Molecular Properties

Compound NameN-[(5-methyl-1H-pyrazol-4-yl)methyl]-2-methylsulfonylpropanamide
PubChem CID49491357
Molecular FormulaC9H15N3O3S
Molecular Weight245.30 g/mol
Exact Mass245.08
IUPAC NameN-[(5-methyl-1H-pyrazol-4-yl)methyl]-2-methylsulfonylpropanamide
SMILESCc1[nH]ncc1CNC(=O)C(C)S(C)(=O)=O
InChIInChI=1S/C9H15N3O3S/c1-6-8(5-11-12-6)4-10-9(13)7(2)16(3,14)15/h5,7H,4H2,1-3H3,(H,10,13)(H,11,12)
InChIKeyPVYOXAYUDKKYSP-UHFFFAOYSA-N
XLogP-0.23
TPSA91.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.30
LogP ≤ 5-0.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(3S)-1-ethylsulfonyl-N-methyl-N-[(5-methyl-1H-pyrazol-4-yl)methyl]piperidine-3-carboxamide
CID 164631667
2,2-dimethyl-N-[(5-methyl-1H-pyrazol-4-yl)methyl]propanamide
CID 60767361
N-[(5-methyl-1H-pyrazol-4-yl)methyl]cyclopropanecarboxamide
CID 60767434
N-[(5-methyl-1H-pyrazol-4-yl)methyl]propanamide
CID 60767560
2-methyl-N-[(5-methyl-1H-pyrazol-4-yl)methyl]propanamide
CID 60767865
N-[(5-methyl-1H-pyrazol-4-yl)methyl]acetamide
CID 60767985
ethane;N-[(5-methyl-1H-pyrazol-4-yl)methyl]propanamide
CID 172383458
2-methyl-N-[(4-methyl-1H-pyrazol-5-yl)methyl]propanamide
CID 178551134
N-[(5-methyl-1H-pyrazol-4-yl)methyl]-1,1-dioxothiolan-3-amine
CID 43663443
2-[(5-methyl-1H-pyrazol-4-yl)methylamino]ethanesulfonamide
CID 43663757
3-[(5-methyl-1H-pyrazol-4-yl)methylamino]propanamide
CID 43663758
N-[(5-methyl-1H-pyrazol-4-yl)methyl]-1,1-dioxothian-4-amine
CID 43663771

Frequently Asked Questions

What is the IUPAC name of N-[(5-methyl-1H-pyrazol-4-yl)methyl]-2-methylsulfonylpropanamide?
The IUPAC name of N-[(5-methyl-1H-pyrazol-4-yl)methyl]-2-methylsulfonylpropanamide (CID 49491357) is N-[(5-methyl-1H-pyrazol-4-yl)methyl]-2-methylsulfonylpropanamide.
What is the SMILES notation for N-[(5-methyl-1H-pyrazol-4-yl)methyl]-2-methylsulfonylpropanamide?
The canonical SMILES for N-[(5-methyl-1H-pyrazol-4-yl)methyl]-2-methylsulfonylpropanamide is Cc1[nH]ncc1CNC(=O)C(C)S(C)(=O)=O.
What is the InChIKey of N-[(5-methyl-1H-pyrazol-4-yl)methyl]-2-methylsulfonylpropanamide?
The InChIKey is PVYOXAYUDKKYSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3O3S/c1-6-8(5-11-12-6)4-10-9(13)7(2)16(3,14)15/h5,7H,4H2,1-3H3,(H,10,13)(H,11,12).
What are the key properties of N-[(5-methyl-1H-pyrazol-4-yl)methyl]-2-methylsulfonylpropanamide?
N-[(5-methyl-1H-pyrazol-4-yl)methyl]-2-methylsulfonylpropanamide has a molecular weight of 245.30 g/mol, XLogP of -0.23, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-methyl-1H-pyrazol-4-yl)methyl]-2-methylsulfonylpropanamide is sourced from PubChem (CID 49491357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).