4-[(4-chloro-3-ethylphenoxy)methyl]-1,3-dimethylpyrazol-5-amine

C14H18ClN3O — CID 55044844

IUPAC4-[(4-chloro-3-ethylphenoxy)methyl]-1,3-dimethylpyrazol-5-amine
SMILESCCc1cc(OCc2c(C)nn(C)c2N)ccc1Cl
InChIInChI=1S/C14H18ClN3O/c1-4-10-7-11(5-6-13(10)15)19-8-12-9(2)17-18(3)14(12)16/h5-7H,4,8,16H2,1-3H3
InChIKeyCUNURIFWVXXYSO-UHFFFAOYSA-N
MW279.77 g/mol
LogP3.11
Rot. Bonds4

About 4-[(4-chloro-3-ethylphenoxy)methyl]-1,3-dimethylpyrazol-5-amine

4-[(4-chloro-3-ethylphenoxy)methyl]-1,3-dimethylpyrazol-5-amine (PubChem CID 55044844) has the molecular formula C14H18ClN3O and a molecular weight of 279.77 g/mol. Its IUPAC name is 4-[(4-chloro-3-ethylphenoxy)methyl]-1,3-dimethylpyrazol-5-amine.

Molecular Properties

Compound Name4-[(4-chloro-3-ethylphenoxy)methyl]-1,3-dimethylpyrazol-5-amine
PubChem CID55044844
Molecular FormulaC14H18ClN3O
Molecular Weight279.77 g/mol
Exact Mass279.11
IUPAC Name4-[(4-chloro-3-ethylphenoxy)methyl]-1,3-dimethylpyrazol-5-amine
SMILESCCc1cc(OCc2c(C)nn(C)c2N)ccc1Cl
InChIInChI=1S/C14H18ClN3O/c1-4-10-7-11(5-6-13(10)15)19-8-12-9(2)17-18(3)14(12)16/h5-7H,4,8,16H2,1-3H3
InChIKeyCUNURIFWVXXYSO-UHFFFAOYSA-N
XLogP3.11
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.77
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[(4-chloro-3-ethylphenoxy)methyl]-1,3-dimethylpyrazol-5-amine?
The IUPAC name of 4-[(4-chloro-3-ethylphenoxy)methyl]-1,3-dimethylpyrazol-5-amine (CID 55044844) is 4-[(4-chloro-3-ethylphenoxy)methyl]-1,3-dimethylpyrazol-5-amine.
What is the SMILES notation for 4-[(4-chloro-3-ethylphenoxy)methyl]-1,3-dimethylpyrazol-5-amine?
The canonical SMILES for 4-[(4-chloro-3-ethylphenoxy)methyl]-1,3-dimethylpyrazol-5-amine is CCc1cc(OCc2c(C)nn(C)c2N)ccc1Cl.
What is the InChIKey of 4-[(4-chloro-3-ethylphenoxy)methyl]-1,3-dimethylpyrazol-5-amine?
The InChIKey is CUNURIFWVXXYSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18ClN3O/c1-4-10-7-11(5-6-13(10)15)19-8-12-9(2)17-18(3)14(12)16/h5-7H,4,8,16H2,1-3H3.
What are the key properties of 4-[(4-chloro-3-ethylphenoxy)methyl]-1,3-dimethylpyrazol-5-amine?
4-[(4-chloro-3-ethylphenoxy)methyl]-1,3-dimethylpyrazol-5-amine has a molecular weight of 279.77 g/mol, XLogP of 3.11, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-chloro-3-ethylphenoxy)methyl]-1,3-dimethylpyrazol-5-amine is sourced from PubChem (CID 55044844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).