N-[(1-hydroxycycloheptyl)methyl]-3,5-dimethyl-1H-pyrazole-4-sulfonamide

C13H23N3O3S — CID 65122316

IUPACN-[(1-hydroxycycloheptyl)methyl]-3,5-dimethyl-1H-pyrazole-4-sulfonamide
SMILESCc1n[nH]c(C)c1S(=O)(=O)NCC1(O)CCCCCC1
InChIInChI=1S/C13H23N3O3S/c1-10-12(11(2)16-15-10)20(18,19)14-9-13(17)7-5-3-4-6-8-13/h14,17H,3-9H2,1-2H3,(H,15,16)
InChIKeyKVPAIHIDRIWVMP-UHFFFAOYSA-N
MW301.41 g/mol
LogP1.39
Rot. Bonds4

About N-[(1-hydroxycycloheptyl)methyl]-3,5-dimethyl-1H-pyrazole-4-sulfonamide

N-[(1-hydroxycycloheptyl)methyl]-3,5-dimethyl-1H-pyrazole-4-sulfonamide (PubChem CID 65122316) has the molecular formula C13H23N3O3S and a molecular weight of 301.41 g/mol. Its IUPAC name is N-[(1-hydroxycycloheptyl)methyl]-3,5-dimethyl-1H-pyrazole-4-sulfonamide.

Molecular Properties

Compound NameN-[(1-hydroxycycloheptyl)methyl]-3,5-dimethyl-1H-pyrazole-4-sulfonamide
PubChem CID65122316
Molecular FormulaC13H23N3O3S
Molecular Weight301.41 g/mol
Exact Mass301.15
IUPAC NameN-[(1-hydroxycycloheptyl)methyl]-3,5-dimethyl-1H-pyrazole-4-sulfonamide
SMILESCc1n[nH]c(C)c1S(=O)(=O)NCC1(O)CCCCCC1
InChIInChI=1S/C13H23N3O3S/c1-10-12(11(2)16-15-10)20(18,19)14-9-13(17)7-5-3-4-6-8-13/h14,17H,3-9H2,1-2H3,(H,15,16)
InChIKeyKVPAIHIDRIWVMP-UHFFFAOYSA-N
XLogP1.39
TPSA95.08 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.41
LogP ≤ 51.39
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[1-(aminomethyl)cyclopropyl]methyl]-3,5-dimethyl-1H-pyrazole-4-sulfonamide
CID 113313701
2-[1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonylamino]cyclopentyl]acetic acid
CID 64673316
1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonylamino]cycloheptane-1-carbothioamide
CID 61122478
4-fluoro-N-[(1-hydroxycyclohexyl)methyl]-2,6-dimethylbenzenesulfonamide
CID 107327238
3,5-dimethyl-N-(thiolan-2-ylmethyl)-1H-pyrazole-4-sulfonamide
CID 80585796
N-[2-(methanesulfonamido)ethyl]-3,5-dimethyl-1H-pyrazole-4-sulfonamide
CID 43420752
N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-3,5-dimethyl-1H-pyrazole-4-sulfonamide;hydrochloride
CID 120896458
N-[[1-(4-methoxyphenyl)cyclopropyl]methyl]-3,5-dimethyl-1H-pyrazole-4-sulfonamide
CID 113090768
N-(2-chloroethyl)-3,5-dimethyl-1H-pyrazole-4-sulfonamide
CID 65033381
2-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonylamino]-N,N-dimethylacetamide
CID 43215038
3,5-dimethyl-N-(2-piperidin-1-ylpropyl)-1H-pyrazole-4-sulfonamide
CID 61018075
N-butyl-3,5-dimethyl-1H-pyrazole-4-sulfonamide
CID 43091242

Frequently Asked Questions

What is the IUPAC name of N-[(1-hydroxycycloheptyl)methyl]-3,5-dimethyl-1H-pyrazole-4-sulfonamide?
The IUPAC name of N-[(1-hydroxycycloheptyl)methyl]-3,5-dimethyl-1H-pyrazole-4-sulfonamide (CID 65122316) is N-[(1-hydroxycycloheptyl)methyl]-3,5-dimethyl-1H-pyrazole-4-sulfonamide.
What is the SMILES notation for N-[(1-hydroxycycloheptyl)methyl]-3,5-dimethyl-1H-pyrazole-4-sulfonamide?
The canonical SMILES for N-[(1-hydroxycycloheptyl)methyl]-3,5-dimethyl-1H-pyrazole-4-sulfonamide is Cc1n[nH]c(C)c1S(=O)(=O)NCC1(O)CCCCCC1.
What is the InChIKey of N-[(1-hydroxycycloheptyl)methyl]-3,5-dimethyl-1H-pyrazole-4-sulfonamide?
The InChIKey is KVPAIHIDRIWVMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O3S/c1-10-12(11(2)16-15-10)20(18,19)14-9-13(17)7-5-3-4-6-8-13/h14,17H,3-9H2,1-2H3,(H,15,16).
What are the key properties of N-[(1-hydroxycycloheptyl)methyl]-3,5-dimethyl-1H-pyrazole-4-sulfonamide?
N-[(1-hydroxycycloheptyl)methyl]-3,5-dimethyl-1H-pyrazole-4-sulfonamide has a molecular weight of 301.41 g/mol, XLogP of 1.39, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-hydroxycycloheptyl)methyl]-3,5-dimethyl-1H-pyrazole-4-sulfonamide is sourced from PubChem (CID 65122316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).