N-(3-ethylsulfanylpropyl)-1,3-dimethylpyrazol-4-amine

C10H19N3S — CID 104956490

IUPACN-(3-ethylsulfanylpropyl)-1,3-dimethylpyrazol-4-amine
SMILESCCSCCCNc1cn(C)nc1C
InChIInChI=1S/C10H19N3S/c1-4-14-7-5-6-11-10-8-13(3)12-9(10)2/h8,11H,4-7H2,1-3H3
InChIKeyDVJXTJREAXKCII-UHFFFAOYSA-N
MW213.35 g/mol
LogP2.28
Rot. Bonds6

About N-(3-ethylsulfanylpropyl)-1,3-dimethylpyrazol-4-amine

N-(3-ethylsulfanylpropyl)-1,3-dimethylpyrazol-4-amine (PubChem CID 104956490) has the molecular formula C10H19N3S and a molecular weight of 213.35 g/mol. Its IUPAC name is N-(3-ethylsulfanylpropyl)-1,3-dimethylpyrazol-4-amine.

Molecular Properties

Compound NameN-(3-ethylsulfanylpropyl)-1,3-dimethylpyrazol-4-amine
PubChem CID104956490
Molecular FormulaC10H19N3S
Molecular Weight213.35 g/mol
Exact Mass213.13
IUPAC NameN-(3-ethylsulfanylpropyl)-1,3-dimethylpyrazol-4-amine
SMILESCCSCCCNc1cn(C)nc1C
InChIInChI=1S/C10H19N3S/c1-4-14-7-5-6-11-10-8-13(3)12-9(10)2/h8,11H,4-7H2,1-3H3
InChIKeyDVJXTJREAXKCII-UHFFFAOYSA-N
XLogP2.28
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.35
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-butyl-1,3-dimethylpyrazol-4-amine;hydrochloride
CID 126965542
N-(3-ethylsulfonylpropyl)-1,3-dimethylpyrazol-4-amine
CID 102805295
N-(3-methoxy-3-methylbutyl)-1,3-dimethylpyrazol-4-amine
CID 103033669
N-[2-(3-methoxypropoxy)ethyl]-1,3-dimethylpyrazol-4-amine
CID 103179574
1,3-dimethyl-N-(2-propan-2-ylsulfonylethyl)pyrazol-4-amine
CID 106724603
N-butyl-1-(2-fluoroethyl)-3-methylpyrazol-4-amine
CID 122168973
3-ethyl-1-methyl-N-pentylpyrazol-4-amine
CID 107462468
1,3-dimethyl-N-[(1-pentan-3-ylpyrazol-3-yl)methyl]pyrazol-4-amine
CID 102805025
1,3-dimethyl-N-[(2-methylcyclopropyl)methyl]pyrazol-4-amine
CID 130708465
1,3-dimethyl-N-[(2-methyltetrazol-5-yl)methyl]pyrazol-4-amine
CID 107042771
N-(cyclobutylmethyl)-1,3-dimethylpyrazol-4-amine
CID 102804461
N-[(5-fluoro-1,3-dimethylpyrazol-4-yl)methyl]-1,3-dimethylpyrazol-4-amine
CID 122169129

Frequently Asked Questions

What is the IUPAC name of N-(3-ethylsulfanylpropyl)-1,3-dimethylpyrazol-4-amine?
The IUPAC name of N-(3-ethylsulfanylpropyl)-1,3-dimethylpyrazol-4-amine (CID 104956490) is N-(3-ethylsulfanylpropyl)-1,3-dimethylpyrazol-4-amine.
What is the SMILES notation for N-(3-ethylsulfanylpropyl)-1,3-dimethylpyrazol-4-amine?
The canonical SMILES for N-(3-ethylsulfanylpropyl)-1,3-dimethylpyrazol-4-amine is CCSCCCNc1cn(C)nc1C.
What is the InChIKey of N-(3-ethylsulfanylpropyl)-1,3-dimethylpyrazol-4-amine?
The InChIKey is DVJXTJREAXKCII-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N3S/c1-4-14-7-5-6-11-10-8-13(3)12-9(10)2/h8,11H,4-7H2,1-3H3.
What are the key properties of N-(3-ethylsulfanylpropyl)-1,3-dimethylpyrazol-4-amine?
N-(3-ethylsulfanylpropyl)-1,3-dimethylpyrazol-4-amine has a molecular weight of 213.35 g/mol, XLogP of 2.28, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-ethylsulfanylpropyl)-1,3-dimethylpyrazol-4-amine is sourced from PubChem (CID 104956490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).