1-[(3-chlorophenoxy)methyl]pyrazol-4-amine

C10H10ClN3O — CID 7017255

IUPAC1-[(3-chlorophenoxy)methyl]pyrazol-4-amine
SMILESNc1cnn(COc2cccc(Cl)c2)c1
InChIInChI=1S/C10H10ClN3O/c11-8-2-1-3-10(4-8)15-7-14-6-9(12)5-13-14/h1-6H,7,12H2
InChIKeyIEEOTFKZXXMMJO-UHFFFAOYSA-N
MW223.66 g/mol
LogP2.16
Rot. Bonds3

About 1-[(3-chlorophenoxy)methyl]pyrazol-4-amine

1-[(3-chlorophenoxy)methyl]pyrazol-4-amine (PubChem CID 7017255) has the molecular formula C10H10ClN3O and a molecular weight of 223.66 g/mol. Its IUPAC name is 1-[(3-chlorophenoxy)methyl]pyrazol-4-amine.

Molecular Properties

Compound Name1-[(3-chlorophenoxy)methyl]pyrazol-4-amine
PubChem CID7017255
Molecular FormulaC10H10ClN3O
Molecular Weight223.66 g/mol
Exact Mass223.05
IUPAC Name1-[(3-chlorophenoxy)methyl]pyrazol-4-amine
SMILESNc1cnn(COc2cccc(Cl)c2)c1
InChIInChI=1S/C10H10ClN3O/c11-8-2-1-3-10(4-8)15-7-14-6-9(12)5-13-14/h1-6H,7,12H2
InChIKeyIEEOTFKZXXMMJO-UHFFFAOYSA-N
XLogP2.16
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.66
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(4-aminopyrazol-1-yl)ethyl]-2-(3-chlorophenoxy)acetamide
CID 115319643
1-[(3-chlorophenyl)methyl]pyrazol-4-amine
CID 7017127
4-chloro-1-[2-(3-chlorophenoxy)ethyl]pyrazole
CID 52731677
1-[1-[(3-chlorophenoxy)methyl]pyrazol-4-yl]-3-(2-methylphenyl)thiourea
CID 19445501
N-[1-[(3-chlorophenoxy)methyl]pyrazol-4-yl]-1-ethylpyrazole-4-carboxamide
CID 19281175
1-[1-[(3-chlorophenoxy)methyl]pyrazol-4-yl]-3-(2,3-dimethylphenyl)thiourea
CID 19445499
1-butan-2-yl-3-[1-[(3-chlorophenoxy)methyl]pyrazol-4-yl]thiourea
CID 19445498
1-[1-[(3-chlorophenoxy)methyl]pyrazol-4-yl]-3-naphthalen-1-ylurea
CID 19448067
1-[1-[(3-chlorophenoxy)methyl]pyrazol-4-yl]-3-[3-(dimethylamino)propyl]thiourea
CID 19344912
1-[(4-chloro-3,5-dimethylphenoxy)methyl]-N-[1-[(3-chlorophenoxy)methyl]pyrazol-4-yl]pyrazole-3-carboxamide
CID 19275470
N-[1-[(3-chlorophenoxy)methyl]pyrazol-4-yl]-4-[(2,6-dimethylphenoxy)methyl]benzamide
CID 19408605
1-(bromomethoxy)-3-chlorobenzene
CID 22961199

Frequently Asked Questions

What is the IUPAC name of 1-[(3-chlorophenoxy)methyl]pyrazol-4-amine?
The IUPAC name of 1-[(3-chlorophenoxy)methyl]pyrazol-4-amine (CID 7017255) is 1-[(3-chlorophenoxy)methyl]pyrazol-4-amine.
What is the SMILES notation for 1-[(3-chlorophenoxy)methyl]pyrazol-4-amine?
The canonical SMILES for 1-[(3-chlorophenoxy)methyl]pyrazol-4-amine is Nc1cnn(COc2cccc(Cl)c2)c1.
What is the InChIKey of 1-[(3-chlorophenoxy)methyl]pyrazol-4-amine?
The InChIKey is IEEOTFKZXXMMJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10ClN3O/c11-8-2-1-3-10(4-8)15-7-14-6-9(12)5-13-14/h1-6H,7,12H2.
What are the key properties of 1-[(3-chlorophenoxy)methyl]pyrazol-4-amine?
1-[(3-chlorophenoxy)methyl]pyrazol-4-amine has a molecular weight of 223.66 g/mol, XLogP of 2.16, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-chlorophenoxy)methyl]pyrazol-4-amine is sourced from PubChem (CID 7017255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).