[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-(1-methyltriazol-4-yl)methanamine

C10H15ClN6O — CID 112735905

IUPAC[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-(1-methyltriazol-4-yl)methanamine
SMILESCOCCn1ncc(Cl)c1C(N)c1cn(C)nn1
InChIInChI=1S/C10H15ClN6O/c1-16-6-8(14-15-16)9(12)10-7(11)5-13-17(10)3-4-18-2/h5-6,9H,3-4,12H2,1-2H3
InChIKeyKWXJHAOCEDPDBY-UHFFFAOYSA-N
MW270.72 g/mol
LogP0.36
Rot. Bonds5

About [4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-(1-methyltriazol-4-yl)methanamine

[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-(1-methyltriazol-4-yl)methanamine (PubChem CID 112735905) has the molecular formula C10H15ClN6O and a molecular weight of 270.72 g/mol. Its IUPAC name is [4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-(1-methyltriazol-4-yl)methanamine.

Molecular Properties

Compound Name[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-(1-methyltriazol-4-yl)methanamine
PubChem CID112735905
Molecular FormulaC10H15ClN6O
Molecular Weight270.72 g/mol
Exact Mass270.10
IUPAC Name[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-(1-methyltriazol-4-yl)methanamine
SMILESCOCCn1ncc(Cl)c1C(N)c1cn(C)nn1
InChIInChI=1S/C10H15ClN6O/c1-16-6-8(14-15-16)9(12)10-7(11)5-13-17(10)3-4-18-2/h5-6,9H,3-4,12H2,1-2H3
InChIKeyKWXJHAOCEDPDBY-UHFFFAOYSA-N
XLogP0.36
TPSA83.78 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.72
LogP ≤ 50.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-(thiadiazol-4-yl)methanamine
CID 105189953
[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-(1,3-dimethylpyrazol-4-yl)methanamine
CID 102804643
[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-(2,6-dichlorophenyl)methanamine
CID 105054471
[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-(3,5-dibromophenyl)methanamine
CID 107977808
1-[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-2,2-dimethoxyethanamine
CID 114657526
[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-(4-ethylphenyl)methanamine
CID 114646633
[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-(5-methylthiophen-2-yl)methanamine
CID 105054688
[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-(4-ethylthiadiazol-5-yl)methanamine
CID 105189938
[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-(3-chloro-5-methylphenyl)methanamine
CID 105054719
[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-(1-methylcyclopropyl)methanamine
CID 114658538
[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-(3-methylphenyl)methanamine
CID 114646785
[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-(3,4-difluorophenyl)methanamine
CID 114646619

Frequently Asked Questions

What is the IUPAC name of [4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-(1-methyltriazol-4-yl)methanamine?
The IUPAC name of [4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-(1-methyltriazol-4-yl)methanamine (CID 112735905) is [4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-(1-methyltriazol-4-yl)methanamine.
What is the SMILES notation for [4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-(1-methyltriazol-4-yl)methanamine?
The canonical SMILES for [4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-(1-methyltriazol-4-yl)methanamine is COCCn1ncc(Cl)c1C(N)c1cn(C)nn1.
What is the InChIKey of [4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-(1-methyltriazol-4-yl)methanamine?
The InChIKey is KWXJHAOCEDPDBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15ClN6O/c1-16-6-8(14-15-16)9(12)10-7(11)5-13-17(10)3-4-18-2/h5-6,9H,3-4,12H2,1-2H3.
What are the key properties of [4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-(1-methyltriazol-4-yl)methanamine?
[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-(1-methyltriazol-4-yl)methanamine has a molecular weight of 270.72 g/mol, XLogP of 0.36, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-(1-methyltriazol-4-yl)methanamine is sourced from PubChem (CID 112735905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).