3-[(cyclopropylamino)methyl]-5-methyl-N-(3-methylpentan-3-yl)-1H-pyrazole-4-sulfonamide

C14H26N4O2S — CID 106331735

IUPAC3-[(cyclopropylamino)methyl]-5-methyl-N-(3-methylpentan-3-yl)-1H-pyrazole-4-sulfonamide
SMILESCCC(C)(CC)NS(=O)(=O)c1c(CNC2CC2)n[nH]c1C
InChIInChI=1S/C14H26N4O2S/c1-5-14(4,6-2)18-21(19,20)13-10(3)16-17-12(13)9-15-11-7-8-11/h11,15,18H,5-9H2,1-4H3,(H,16,17)
InChIKeyUHGUHZSRZNLAGR-UHFFFAOYSA-N
MW314.46 g/mol
LogP1.83
Rot. Bonds8

About 3-[(cyclopropylamino)methyl]-5-methyl-N-(3-methylpentan-3-yl)-1H-pyrazole-4-sulfonamide

3-[(cyclopropylamino)methyl]-5-methyl-N-(3-methylpentan-3-yl)-1H-pyrazole-4-sulfonamide (PubChem CID 106331735) has the molecular formula C14H26N4O2S and a molecular weight of 314.46 g/mol. Its IUPAC name is 3-[(cyclopropylamino)methyl]-5-methyl-N-(3-methylpentan-3-yl)-1H-pyrazole-4-sulfonamide.

Molecular Properties

Compound Name3-[(cyclopropylamino)methyl]-5-methyl-N-(3-methylpentan-3-yl)-1H-pyrazole-4-sulfonamide
PubChem CID106331735
Molecular FormulaC14H26N4O2S
Molecular Weight314.46 g/mol
Exact Mass314.18
IUPAC Name3-[(cyclopropylamino)methyl]-5-methyl-N-(3-methylpentan-3-yl)-1H-pyrazole-4-sulfonamide
SMILESCCC(C)(CC)NS(=O)(=O)c1c(CNC2CC2)n[nH]c1C
InChIInChI=1S/C14H26N4O2S/c1-5-14(4,6-2)18-21(19,20)13-10(3)16-17-12(13)9-15-11-7-8-11/h11,15,18H,5-9H2,1-4H3,(H,16,17)
InChIKeyUHGUHZSRZNLAGR-UHFFFAOYSA-N
XLogP1.83
TPSA86.88 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.46
LogP ≤ 51.83
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

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3-[(cyclopropylamino)methyl]-5-methyl-N-(1,3,4-thiadiazol-2-yl)-1H-pyrazole-4-sulfonamide
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3-[(cyclopropylamino)methyl]-5-methyl-N-(1,2,4-oxadiazol-3-ylmethyl)-1H-pyrazole-4-sulfonamide
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3-[(cyclopropylamino)methyl]-N-(2-ethoxyethyl)-N,5-dimethyl-1H-pyrazole-4-sulfonamide
CID 81064006
N-(cyclopentylmethyl)-3-(ethylaminomethyl)-5-methyl-1H-pyrazole-4-sulfonamide
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N-(1-cyclopropylpropan-2-yl)-3-(ethylaminomethyl)-5-methyl-1H-pyrazole-4-sulfonamide
CID 106065894
5-methyl-3-(methylaminomethyl)-N-(oxan-3-yl)-1H-pyrazole-4-sulfonamide
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N-[2-(cyclopropylamino)ethyl]-3,5-dimethyl-1H-pyrazole-4-sulfonamide
CID 62665350
5-methyl-3-(methylaminomethyl)-N-(3-methylcyclobutyl)-1H-pyrazole-4-sulfonamide
CID 113467562
5-methyl-N-(oxolan-3-yl)-3-[(propan-2-ylamino)methyl]-1H-pyrazole-4-sulfonamide
CID 106072521
3-(ethylaminomethyl)-5-methyl-N-[(1-methylsulfanylcyclopropyl)methyl]-1H-pyrazole-4-sulfonamide
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Frequently Asked Questions

What is the IUPAC name of 3-[(cyclopropylamino)methyl]-5-methyl-N-(3-methylpentan-3-yl)-1H-pyrazole-4-sulfonamide?
The IUPAC name of 3-[(cyclopropylamino)methyl]-5-methyl-N-(3-methylpentan-3-yl)-1H-pyrazole-4-sulfonamide (CID 106331735) is 3-[(cyclopropylamino)methyl]-5-methyl-N-(3-methylpentan-3-yl)-1H-pyrazole-4-sulfonamide.
What is the SMILES notation for 3-[(cyclopropylamino)methyl]-5-methyl-N-(3-methylpentan-3-yl)-1H-pyrazole-4-sulfonamide?
The canonical SMILES for 3-[(cyclopropylamino)methyl]-5-methyl-N-(3-methylpentan-3-yl)-1H-pyrazole-4-sulfonamide is CCC(C)(CC)NS(=O)(=O)c1c(CNC2CC2)n[nH]c1C.
What is the InChIKey of 3-[(cyclopropylamino)methyl]-5-methyl-N-(3-methylpentan-3-yl)-1H-pyrazole-4-sulfonamide?
The InChIKey is UHGUHZSRZNLAGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N4O2S/c1-5-14(4,6-2)18-21(19,20)13-10(3)16-17-12(13)9-15-11-7-8-11/h11,15,18H,5-9H2,1-4H3,(H,16,17).
What are the key properties of 3-[(cyclopropylamino)methyl]-5-methyl-N-(3-methylpentan-3-yl)-1H-pyrazole-4-sulfonamide?
3-[(cyclopropylamino)methyl]-5-methyl-N-(3-methylpentan-3-yl)-1H-pyrazole-4-sulfonamide has a molecular weight of 314.46 g/mol, XLogP of 1.83, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(cyclopropylamino)methyl]-5-methyl-N-(3-methylpentan-3-yl)-1H-pyrazole-4-sulfonamide is sourced from PubChem (CID 106331735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).