N-[2-[[1-(2-hydroxyethyl)pyrazol-4-yl]methylamino]ethyl]methanesulfonamide

C9H18N4O3S — CID 64828582

IUPACN-[2-[[1-(2-hydroxyethyl)pyrazol-4-yl]methylamino]ethyl]methanesulfonamide
SMILESCS(=O)(=O)NCCNCc1cnn(CCO)c1
InChIInChI=1S/C9H18N4O3S/c1-17(15,16)12-3-2-10-6-9-7-11-13(8-9)4-5-14/h7-8,10,12,14H,2-6H2,1H3
InChIKeyLPMRBDSCBAANMC-UHFFFAOYSA-N
MW262.33 g/mol
LogP-1.49
Rot. Bonds8

About N-[2-[[1-(2-hydroxyethyl)pyrazol-4-yl]methylamino]ethyl]methanesulfonamide

N-[2-[[1-(2-hydroxyethyl)pyrazol-4-yl]methylamino]ethyl]methanesulfonamide (PubChem CID 64828582) has the molecular formula C9H18N4O3S and a molecular weight of 262.33 g/mol. Its IUPAC name is N-[2-[[1-(2-hydroxyethyl)pyrazol-4-yl]methylamino]ethyl]methanesulfonamide.

Molecular Properties

Compound NameN-[2-[[1-(2-hydroxyethyl)pyrazol-4-yl]methylamino]ethyl]methanesulfonamide
PubChem CID64828582
Molecular FormulaC9H18N4O3S
Molecular Weight262.33 g/mol
Exact Mass262.11
IUPAC NameN-[2-[[1-(2-hydroxyethyl)pyrazol-4-yl]methylamino]ethyl]methanesulfonamide
SMILESCS(=O)(=O)NCCNCc1cnn(CCO)c1
InChIInChI=1S/C9H18N4O3S/c1-17(15,16)12-3-2-10-6-9-7-11-13(8-9)4-5-14/h7-8,10,12,14H,2-6H2,1H3
InChIKeyLPMRBDSCBAANMC-UHFFFAOYSA-N
XLogP-1.49
TPSA96.25 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.33
LogP ≤ 5-1.49
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

methyl 3-[[1-(2-hydroxyethyl)pyrazol-4-yl]methylamino]propanoate
CID 64829565
tert-butyl N-[2-[[1-(2-hydroxyethyl)pyrazol-4-yl]methylamino]ethyl]carbamate
CID 107241305
2-[4-[(3-pyrazol-1-ylpropylamino)methyl]pyrazol-1-yl]ethanol
CID 113412472
2-[4-[(2-phenylethylamino)methyl]pyrazol-1-yl]ethanol
CID 64830530
N-[3-[(1-benzylpyrazol-4-yl)methylamino]propyl]methanesulfonamide
CID 86776302
2-[4-[(3-imidazol-1-ylpropylamino)methyl]pyrazol-1-yl]ethanol
CID 64831333
2-[4-[[[2-(dimethylamino)-2-methylpropyl]amino]methyl]pyrazol-1-yl]ethanol
CID 64830339
2-[(1-propylpyrazol-4-yl)methylamino]ethylurea
CID 103571628
2-[4-[[2-(2-methoxyphenyl)ethylamino]methyl]pyrazol-1-yl]ethanol
CID 106259621
2-[4-[[2-(4-methyl-1,3-thiazol-2-yl)ethylamino]methyl]pyrazol-1-yl]ethanol
CID 64830983
2-[4-[[2-(2-fluorophenyl)ethylamino]methyl]pyrazol-1-yl]ethanol
CID 64831314
N-[[1-(3-ethylsulfonylpropyl)pyrazol-4-yl]methyl]ethanamine
CID 65097132

Frequently Asked Questions

What is the IUPAC name of N-[2-[[1-(2-hydroxyethyl)pyrazol-4-yl]methylamino]ethyl]methanesulfonamide?
The IUPAC name of N-[2-[[1-(2-hydroxyethyl)pyrazol-4-yl]methylamino]ethyl]methanesulfonamide (CID 64828582) is N-[2-[[1-(2-hydroxyethyl)pyrazol-4-yl]methylamino]ethyl]methanesulfonamide.
What is the SMILES notation for N-[2-[[1-(2-hydroxyethyl)pyrazol-4-yl]methylamino]ethyl]methanesulfonamide?
The canonical SMILES for N-[2-[[1-(2-hydroxyethyl)pyrazol-4-yl]methylamino]ethyl]methanesulfonamide is CS(=O)(=O)NCCNCc1cnn(CCO)c1.
What is the InChIKey of N-[2-[[1-(2-hydroxyethyl)pyrazol-4-yl]methylamino]ethyl]methanesulfonamide?
The InChIKey is LPMRBDSCBAANMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N4O3S/c1-17(15,16)12-3-2-10-6-9-7-11-13(8-9)4-5-14/h7-8,10,12,14H,2-6H2,1H3.
What are the key properties of N-[2-[[1-(2-hydroxyethyl)pyrazol-4-yl]methylamino]ethyl]methanesulfonamide?
N-[2-[[1-(2-hydroxyethyl)pyrazol-4-yl]methylamino]ethyl]methanesulfonamide has a molecular weight of 262.33 g/mol, XLogP of -1.49, 8 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[1-(2-hydroxyethyl)pyrazol-4-yl]methylamino]ethyl]methanesulfonamide is sourced from PubChem (CID 64828582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).