[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-(1,3-dimethylpyrazol-4-yl)methanamine

C12H18ClN5O — CID 102804643

IUPAC[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-(1,3-dimethylpyrazol-4-yl)methanamine
SMILESCOCCn1ncc(Cl)c1C(N)c1cn(C)nc1C
InChIInChI=1S/C12H18ClN5O/c1-8-9(7-17(2)16-8)11(14)12-10(13)6-15-18(12)4-5-19-3/h6-7,11H,4-5,14H2,1-3H3
InChIKeyZIZBDYYCPVXQJW-UHFFFAOYSA-N
MW283.76 g/mol
LogP1.27
Rot. Bonds5

About [4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-(1,3-dimethylpyrazol-4-yl)methanamine

[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-(1,3-dimethylpyrazol-4-yl)methanamine (PubChem CID 102804643) has the molecular formula C12H18ClN5O and a molecular weight of 283.76 g/mol. Its IUPAC name is [4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-(1,3-dimethylpyrazol-4-yl)methanamine.

Molecular Properties

Compound Name[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-(1,3-dimethylpyrazol-4-yl)methanamine
PubChem CID102804643
Molecular FormulaC12H18ClN5O
Molecular Weight283.76 g/mol
Exact Mass283.12
IUPAC Name[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-(1,3-dimethylpyrazol-4-yl)methanamine
SMILESCOCCn1ncc(Cl)c1C(N)c1cn(C)nc1C
InChIInChI=1S/C12H18ClN5O/c1-8-9(7-17(2)16-8)11(14)12-10(13)6-15-18(12)4-5-19-3/h6-7,11H,4-5,14H2,1-3H3
InChIKeyZIZBDYYCPVXQJW-UHFFFAOYSA-N
XLogP1.27
TPSA70.89 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.76
LogP ≤ 51.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-(1-methyltriazol-4-yl)methanamine
CID 112735905
[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-(2,6-dichlorophenyl)methanamine
CID 105054471
[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-(5-methylthiophen-2-yl)methanamine
CID 105054688
[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-(3-chloro-5-methylphenyl)methanamine
CID 105054719
[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]-(3-methylphenyl)methanamine
CID 114646785
(2-bromo-5-fluorophenyl)-[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]methanamine
CID 105054667
(5-bromo-2-fluorophenyl)-[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]methanamine
CID 114894463
[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-(4-ethylphenyl)methanamine
CID 114646633
[4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]-(3-ethyl-1-methylpyrazol-4-yl)methanamine
CID 102812858
(3-bromo-5-methylphenyl)-[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]methanamine
CID 105054566

Frequently Asked Questions

What is the IUPAC name of [4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-(1,3-dimethylpyrazol-4-yl)methanamine?
The IUPAC name of [4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-(1,3-dimethylpyrazol-4-yl)methanamine (CID 102804643) is [4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-(1,3-dimethylpyrazol-4-yl)methanamine.
What is the SMILES notation for [4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-(1,3-dimethylpyrazol-4-yl)methanamine?
The canonical SMILES for [4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-(1,3-dimethylpyrazol-4-yl)methanamine is COCCn1ncc(Cl)c1C(N)c1cn(C)nc1C.
What is the InChIKey of [4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-(1,3-dimethylpyrazol-4-yl)methanamine?
The InChIKey is ZIZBDYYCPVXQJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18ClN5O/c1-8-9(7-17(2)16-8)11(14)12-10(13)6-15-18(12)4-5-19-3/h6-7,11H,4-5,14H2,1-3H3.
What are the key properties of [4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-(1,3-dimethylpyrazol-4-yl)methanamine?
[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-(1,3-dimethylpyrazol-4-yl)methanamine has a molecular weight of 283.76 g/mol, XLogP of 1.27, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-(1,3-dimethylpyrazol-4-yl)methanamine is sourced from PubChem (CID 102804643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).