N-[5-(cyclohexylmethyl)-1H-pyrazol-3-yl]-2-[methyl(methylsulfonyl)amino]acetamide

C14H24N4O3S — CID 51097436

IUPACN-[5-(cyclohexylmethyl)-1H-pyrazol-3-yl]-2-[methyl(methylsulfonyl)amino]acetamide
SMILESCN(CC(=O)Nc1cc(CC2CCCCC2)[nH]n1)S(C)(=O)=O
InChIInChI=1S/C14H24N4O3S/c1-18(22(2,20)21)10-14(19)15-13-9-12(16-17-13)8-11-6-4-3-5-7-11/h9,11H,3-8,10H2,1-2H3,(H2,15,16,17,19)
InChIKeyMBBATWMNHJHIFC-UHFFFAOYSA-N
MW328.44 g/mol
LogP1.36
Rot. Bonds6

About N-[5-(cyclohexylmethyl)-1H-pyrazol-3-yl]-2-[methyl(methylsulfonyl)amino]acetamide

N-[5-(cyclohexylmethyl)-1H-pyrazol-3-yl]-2-[methyl(methylsulfonyl)amino]acetamide (PubChem CID 51097436) has the molecular formula C14H24N4O3S and a molecular weight of 328.44 g/mol. Its IUPAC name is N-[5-(cyclohexylmethyl)-1H-pyrazol-3-yl]-2-[methyl(methylsulfonyl)amino]acetamide.

Molecular Properties

Compound NameN-[5-(cyclohexylmethyl)-1H-pyrazol-3-yl]-2-[methyl(methylsulfonyl)amino]acetamide
PubChem CID51097436
Molecular FormulaC14H24N4O3S
Molecular Weight328.44 g/mol
Exact Mass328.16
IUPAC NameN-[5-(cyclohexylmethyl)-1H-pyrazol-3-yl]-2-[methyl(methylsulfonyl)amino]acetamide
SMILESCN(CC(=O)Nc1cc(CC2CCCCC2)[nH]n1)S(C)(=O)=O
InChIInChI=1S/C14H24N4O3S/c1-18(22(2,20)21)10-14(19)15-13-9-12(16-17-13)8-11-6-4-3-5-7-11/h9,11H,3-8,10H2,1-2H3,(H2,15,16,17,19)
InChIKeyMBBATWMNHJHIFC-UHFFFAOYSA-N
XLogP1.36
TPSA95.16 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.44
LogP ≤ 51.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[5-(cyclohexylmethyl)-1H-pyrazol-3-yl]-2-[methyl(methylsulfonyl)amino]acetamide?
The IUPAC name of N-[5-(cyclohexylmethyl)-1H-pyrazol-3-yl]-2-[methyl(methylsulfonyl)amino]acetamide (CID 51097436) is N-[5-(cyclohexylmethyl)-1H-pyrazol-3-yl]-2-[methyl(methylsulfonyl)amino]acetamide.
What is the SMILES notation for N-[5-(cyclohexylmethyl)-1H-pyrazol-3-yl]-2-[methyl(methylsulfonyl)amino]acetamide?
The canonical SMILES for N-[5-(cyclohexylmethyl)-1H-pyrazol-3-yl]-2-[methyl(methylsulfonyl)amino]acetamide is CN(CC(=O)Nc1cc(CC2CCCCC2)[nH]n1)S(C)(=O)=O.
What is the InChIKey of N-[5-(cyclohexylmethyl)-1H-pyrazol-3-yl]-2-[methyl(methylsulfonyl)amino]acetamide?
The InChIKey is MBBATWMNHJHIFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N4O3S/c1-18(22(2,20)21)10-14(19)15-13-9-12(16-17-13)8-11-6-4-3-5-7-11/h9,11H,3-8,10H2,1-2H3,(H2,15,16,17,19).
What are the key properties of N-[5-(cyclohexylmethyl)-1H-pyrazol-3-yl]-2-[methyl(methylsulfonyl)amino]acetamide?
N-[5-(cyclohexylmethyl)-1H-pyrazol-3-yl]-2-[methyl(methylsulfonyl)amino]acetamide has a molecular weight of 328.44 g/mol, XLogP of 1.36, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(cyclohexylmethyl)-1H-pyrazol-3-yl]-2-[methyl(methylsulfonyl)amino]acetamide is sourced from PubChem (CID 51097436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).