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

C10H18N4O2S — CID 113313701

IUPACN-[[1-(aminomethyl)cyclopropyl]methyl]-3,5-dimethyl-1H-pyrazole-4-sulfonamide
SMILESCc1n[nH]c(C)c1S(=O)(=O)NCC1(CN)CC1
InChIInChI=1S/C10H18N4O2S/c1-7-9(8(2)14-13-7)17(15,16)12-6-10(5-11)3-4-10/h12H,3-6,11H2,1-2H3,(H,13,14)
InChIKeyHQWCYORZINCJPZ-UHFFFAOYSA-N
MW258.35 g/mol
LogP0.04
Rot. Bonds5

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

N-[[1-(aminomethyl)cyclopropyl]methyl]-3,5-dimethyl-1H-pyrazole-4-sulfonamide (PubChem CID 113313701) has the molecular formula C10H18N4O2S and a molecular weight of 258.35 g/mol. Its IUPAC name is N-[[1-(aminomethyl)cyclopropyl]methyl]-3,5-dimethyl-1H-pyrazole-4-sulfonamide.

Molecular Properties

Compound NameN-[[1-(aminomethyl)cyclopropyl]methyl]-3,5-dimethyl-1H-pyrazole-4-sulfonamide
PubChem CID113313701
Molecular FormulaC10H18N4O2S
Molecular Weight258.35 g/mol
Exact Mass258.12
IUPAC NameN-[[1-(aminomethyl)cyclopropyl]methyl]-3,5-dimethyl-1H-pyrazole-4-sulfonamide
SMILESCc1n[nH]c(C)c1S(=O)(=O)NCC1(CN)CC1
InChIInChI=1S/C10H18N4O2S/c1-7-9(8(2)14-13-7)17(15,16)12-6-10(5-11)3-4-10/h12H,3-6,11H2,1-2H3,(H,13,14)
InChIKeyHQWCYORZINCJPZ-UHFFFAOYSA-N
XLogP0.04
TPSA100.87 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.35
LogP ≤ 50.04
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(1-hydroxycycloheptyl)methyl]-3,5-dimethyl-1H-pyrazole-4-sulfonamide
CID 65122316
N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-3,5-dimethyl-1H-pyrazole-4-sulfonamide;hydrochloride
CID 120896458
N-[2-(methanesulfonamido)ethyl]-3,5-dimethyl-1H-pyrazole-4-sulfonamide
CID 43420752
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
N-butyl-3,5-dimethyl-1H-pyrazole-4-sulfonamide
CID 43091242
N-(5-amino-2,2-dimethylpentyl)-3,5-dimethyl-1H-pyrazole-4-sulfonamide
CID 106141679
N-[[1-(aminomethyl)cyclopropyl]methyl]-4-methylbenzenesulfonamide
CID 113313712
N-[2-(cyclopropylamino)ethyl]-3,5-dimethyl-1H-pyrazole-4-sulfonamide
CID 62665350
N-[[1-(5-chloro-1H-indol-3-yl)cyclopropyl]methyl]-3,5-dimethyl-1H-pyrazole-4-sulfonamide
CID 113085205
2-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonylamino]-N,N-dimethylacetamide
CID 43215038
3,5-dimethyl-N-(4-methylpiperidin-4-yl)-1H-pyrazole-4-sulfonamide
CID 114696800

Frequently Asked Questions

What is the IUPAC name of N-[[1-(aminomethyl)cyclopropyl]methyl]-3,5-dimethyl-1H-pyrazole-4-sulfonamide?
The IUPAC name of N-[[1-(aminomethyl)cyclopropyl]methyl]-3,5-dimethyl-1H-pyrazole-4-sulfonamide (CID 113313701) is N-[[1-(aminomethyl)cyclopropyl]methyl]-3,5-dimethyl-1H-pyrazole-4-sulfonamide.
What is the SMILES notation for N-[[1-(aminomethyl)cyclopropyl]methyl]-3,5-dimethyl-1H-pyrazole-4-sulfonamide?
The canonical SMILES for N-[[1-(aminomethyl)cyclopropyl]methyl]-3,5-dimethyl-1H-pyrazole-4-sulfonamide is Cc1n[nH]c(C)c1S(=O)(=O)NCC1(CN)CC1.
What is the InChIKey of N-[[1-(aminomethyl)cyclopropyl]methyl]-3,5-dimethyl-1H-pyrazole-4-sulfonamide?
The InChIKey is HQWCYORZINCJPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N4O2S/c1-7-9(8(2)14-13-7)17(15,16)12-6-10(5-11)3-4-10/h12H,3-6,11H2,1-2H3,(H,13,14).
What are the key properties of N-[[1-(aminomethyl)cyclopropyl]methyl]-3,5-dimethyl-1H-pyrazole-4-sulfonamide?
N-[[1-(aminomethyl)cyclopropyl]methyl]-3,5-dimethyl-1H-pyrazole-4-sulfonamide has a molecular weight of 258.35 g/mol, XLogP of 0.04, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(aminomethyl)cyclopropyl]methyl]-3,5-dimethyl-1H-pyrazole-4-sulfonamide is sourced from PubChem (CID 113313701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).