4-[(cyclopropylamino)methyl]-5-methyl-N-(2-methylpentan-3-yl)-1H-pyrazole-3-sulfonamide

C14H26N4O2S — CID 106018999

IUPAC4-[(cyclopropylamino)methyl]-5-methyl-N-(2-methylpentan-3-yl)-1H-pyrazole-3-sulfonamide
SMILESCCC(NS(=O)(=O)c1n[nH]c(C)c1CNC1CC1)C(C)C
InChIInChI=1S/C14H26N4O2S/c1-5-13(9(2)3)18-21(19,20)14-12(10(4)16-17-14)8-15-11-6-7-11/h9,11,13,15,18H,5-8H2,1-4H3,(H,16,17)
InChIKeyKEPVFUZWDKRKFR-UHFFFAOYSA-N
MW314.46 g/mol
LogP1.68
Rot. Bonds8

About 4-[(cyclopropylamino)methyl]-5-methyl-N-(2-methylpentan-3-yl)-1H-pyrazole-3-sulfonamide

4-[(cyclopropylamino)methyl]-5-methyl-N-(2-methylpentan-3-yl)-1H-pyrazole-3-sulfonamide (PubChem CID 106018999) has the molecular formula C14H26N4O2S and a molecular weight of 314.46 g/mol. Its IUPAC name is 4-[(cyclopropylamino)methyl]-5-methyl-N-(2-methylpentan-3-yl)-1H-pyrazole-3-sulfonamide.

Molecular Properties

Compound Name4-[(cyclopropylamino)methyl]-5-methyl-N-(2-methylpentan-3-yl)-1H-pyrazole-3-sulfonamide
PubChem CID106018999
Molecular FormulaC14H26N4O2S
Molecular Weight314.46 g/mol
Exact Mass314.18
IUPAC Name4-[(cyclopropylamino)methyl]-5-methyl-N-(2-methylpentan-3-yl)-1H-pyrazole-3-sulfonamide
SMILESCCC(NS(=O)(=O)c1n[nH]c(C)c1CNC1CC1)C(C)C
InChIInChI=1S/C14H26N4O2S/c1-5-13(9(2)3)18-21(19,20)14-12(10(4)16-17-14)8-15-11-6-7-11/h9,11,13,15,18H,5-8H2,1-4H3,(H,16,17)
InChIKeyKEPVFUZWDKRKFR-UHFFFAOYSA-N
XLogP1.68
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 ≤ 51.68
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

4-(ethylaminomethyl)-5-methyl-N-(2-methylpentan-3-yl)-1H-pyrazole-3-sulfonamide
CID 106018854
4-[(cyclopropylamino)methyl]-5-methyl-N-morpholin-4-yl-1H-pyrazole-3-sulfonamide
CID 106075895
4-(ethylaminomethyl)-5-methyl-N-(3-methylbutan-2-yl)-1H-pyrazole-3-sulfonamide
CID 106029941
4-(ethylaminomethyl)-5-methyl-N-(4-methylpentan-2-yl)-1H-pyrazole-3-sulfonamide
CID 106028545
N-(4-ethylcyclohexyl)-5-methyl-4-(methylaminomethyl)-1H-pyrazole-3-sulfonamide
CID 106053045
4-[(cyclopropylamino)methyl]-N-(2-methylpentan-3-yl)thiophene-2-sulfonamide
CID 106018930
5-methyl-N-(4-methylpentan-2-yl)-4-(propylaminomethyl)-1H-pyrazole-3-sulfonamide
CID 106028693
5-methyl-4-(methylaminomethyl)-N-(1-methylsulfanylpropan-2-yl)-1H-pyrazole-3-sulfonamide
CID 114142069
N-hexan-3-yl-5-methyl-4-(propylaminomethyl)-1H-pyrazole-3-sulfonamide
CID 106055423
5-methyl-4-[(propan-2-ylamino)methyl]-N-(thiolan-3-yl)-1H-pyrazole-3-sulfonamide
CID 106086341
3-[(cyclopropylamino)methyl]-5-methyl-N-(1-methylsulfanylbutan-2-yl)-1H-pyrazole-4-sulfonamide
CID 106084016
5-methyl-4-[(propan-2-ylamino)methyl]-N-(thian-3-yl)-1H-pyrazole-3-sulfonamide
CID 106081527

Frequently Asked Questions

What is the IUPAC name of 4-[(cyclopropylamino)methyl]-5-methyl-N-(2-methylpentan-3-yl)-1H-pyrazole-3-sulfonamide?
The IUPAC name of 4-[(cyclopropylamino)methyl]-5-methyl-N-(2-methylpentan-3-yl)-1H-pyrazole-3-sulfonamide (CID 106018999) is 4-[(cyclopropylamino)methyl]-5-methyl-N-(2-methylpentan-3-yl)-1H-pyrazole-3-sulfonamide.
What is the SMILES notation for 4-[(cyclopropylamino)methyl]-5-methyl-N-(2-methylpentan-3-yl)-1H-pyrazole-3-sulfonamide?
The canonical SMILES for 4-[(cyclopropylamino)methyl]-5-methyl-N-(2-methylpentan-3-yl)-1H-pyrazole-3-sulfonamide is CCC(NS(=O)(=O)c1n[nH]c(C)c1CNC1CC1)C(C)C.
What is the InChIKey of 4-[(cyclopropylamino)methyl]-5-methyl-N-(2-methylpentan-3-yl)-1H-pyrazole-3-sulfonamide?
The InChIKey is KEPVFUZWDKRKFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N4O2S/c1-5-13(9(2)3)18-21(19,20)14-12(10(4)16-17-14)8-15-11-6-7-11/h9,11,13,15,18H,5-8H2,1-4H3,(H,16,17).
What are the key properties of 4-[(cyclopropylamino)methyl]-5-methyl-N-(2-methylpentan-3-yl)-1H-pyrazole-3-sulfonamide?
4-[(cyclopropylamino)methyl]-5-methyl-N-(2-methylpentan-3-yl)-1H-pyrazole-3-sulfonamide has a molecular weight of 314.46 g/mol, XLogP of 1.68, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(cyclopropylamino)methyl]-5-methyl-N-(2-methylpentan-3-yl)-1H-pyrazole-3-sulfonamide is sourced from PubChem (CID 106018999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).