benzene;N-(5-tert-butyl-1H-pyrazol-3-yl)-2-(methanesulfonamido)propanamide

C17H26N4O3S — CID 68895013

IUPACbenzene;N-(5-tert-butyl-1H-pyrazol-3-yl)-2-(methanesulfonamido)propanamide
SMILESCC(NS(C)(=O)=O)C(=O)Nc1cc(C(C)(C)C)[nH]n1.c1ccccc1
InChIInChI=1S/C11H20N4O3S.C6H6/c1-7(15-19(5,17)18)10(16)12-9-6-8(13-14-9)11(2,3)4;1-2-4-6-5-3-1/h6-7,15H,1-5H3,(H2,12,13,14,16);1-6H
InChIKeyHQWSTWQYOJEZOG-UHFFFAOYSA-N
MW366.49 g/mol
LogP2.27
Rot. Bonds4

About benzene;N-(5-tert-butyl-1H-pyrazol-3-yl)-2-(methanesulfonamido)propanamide

benzene;N-(5-tert-butyl-1H-pyrazol-3-yl)-2-(methanesulfonamido)propanamide (PubChem CID 68895013) has the molecular formula C17H26N4O3S and a molecular weight of 366.49 g/mol. Its IUPAC name is benzene;N-(5-tert-butyl-1H-pyrazol-3-yl)-2-(methanesulfonamido)propanamide.

Molecular Properties

Compound Namebenzene;N-(5-tert-butyl-1H-pyrazol-3-yl)-2-(methanesulfonamido)propanamide
PubChem CID68895013
Molecular FormulaC17H26N4O3S
Molecular Weight366.49 g/mol
Exact Mass366.17
IUPAC Namebenzene;N-(5-tert-butyl-1H-pyrazol-3-yl)-2-(methanesulfonamido)propanamide
SMILESCC(NS(C)(=O)=O)C(=O)Nc1cc(C(C)(C)C)[nH]n1.c1ccccc1
InChIInChI=1S/C11H20N4O3S.C6H6/c1-7(15-19(5,17)18)10(16)12-9-6-8(13-14-9)11(2,3)4;1-2-4-6-5-3-1/h6-7,15H,1-5H3,(H2,12,13,14,16);1-6H
InChIKeyHQWSTWQYOJEZOG-UHFFFAOYSA-N
XLogP2.27
TPSA103.95 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.49
LogP ≤ 52.27
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-2-acetamido-N-(5-tert-butyl-1H-pyrazol-3-yl)propanamide
CID 95294416
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N-(5-tert-butyl-1H-pyrazol-3-yl)-2-(carbamoylamino)propanamide
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2-bromo-N-(5-tert-butyl-1H-pyrazol-3-yl)propanamide
CID 82110660
N-(5-tert-butyl-1H-pyrazol-3-yl)-2,2-dichloroacetamide
CID 13477003
3-amino-N-(5-tert-butyl-1H-pyrazol-3-yl)-2-methylbutanamide
CID 104618654
N-[1-[(5-tert-butyl-1H-pyrazol-3-yl)amino]-1-oxopropan-2-yl]thiophene-2-carboxamide
CID 47067682
3-amino-N-(5-tert-butyl-1H-pyrazol-3-yl)-2-methylpropanamide
CID 104618640
2-(aminomethyl)-N-(5-tert-butyl-1H-pyrazol-3-yl)-3-methylbutanamide
CID 113433621
2-(benzylsulfonylamino)-N-(5-tert-butyl-1H-pyrazol-3-yl)pentanamide
CID 91331506
(2S)-N-(5-tert-butyl-1H-pyrazol-3-yl)-2-[[(2S)-2-cyclohexyl-2-hydroxyacetyl]amino]propanamide
CID 142992313
N-[5-(2-fluoro-5-methylphenyl)-1H-pyrazol-3-yl]-2-(methanesulfonamido)propanamide
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Frequently Asked Questions

What is the IUPAC name of benzene;N-(5-tert-butyl-1H-pyrazol-3-yl)-2-(methanesulfonamido)propanamide?
The IUPAC name of benzene;N-(5-tert-butyl-1H-pyrazol-3-yl)-2-(methanesulfonamido)propanamide (CID 68895013) is benzene;N-(5-tert-butyl-1H-pyrazol-3-yl)-2-(methanesulfonamido)propanamide.
What is the SMILES notation for benzene;N-(5-tert-butyl-1H-pyrazol-3-yl)-2-(methanesulfonamido)propanamide?
The canonical SMILES for benzene;N-(5-tert-butyl-1H-pyrazol-3-yl)-2-(methanesulfonamido)propanamide is CC(NS(C)(=O)=O)C(=O)Nc1cc(C(C)(C)C)[nH]n1.c1ccccc1.
What is the InChIKey of benzene;N-(5-tert-butyl-1H-pyrazol-3-yl)-2-(methanesulfonamido)propanamide?
The InChIKey is HQWSTWQYOJEZOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N4O3S.C6H6/c1-7(15-19(5,17)18)10(16)12-9-6-8(13-14-9)11(2,3)4;1-2-4-6-5-3-1/h6-7,15H,1-5H3,(H2,12,13,14,16);1-6H.
What are the key properties of benzene;N-(5-tert-butyl-1H-pyrazol-3-yl)-2-(methanesulfonamido)propanamide?
benzene;N-(5-tert-butyl-1H-pyrazol-3-yl)-2-(methanesulfonamido)propanamide has a molecular weight of 366.49 g/mol, XLogP of 2.27, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for benzene;N-(5-tert-butyl-1H-pyrazol-3-yl)-2-(methanesulfonamido)propanamide is sourced from PubChem (CID 68895013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).