3-[(3-chlorophenoxy)methyl]-1-methylpyrazol-5-amine

C11H12ClN3O — CID 82083972

IUPAC3-[(3-chlorophenoxy)methyl]-1-methylpyrazol-5-amine
SMILESCn1nc(COc2cccc(Cl)c2)cc1N
InChIInChI=1S/C11H12ClN3O/c1-15-11(13)6-9(14-15)7-16-10-4-2-3-8(12)5-10/h2-6H,7,13H2,1H3
InChIKeyFSWMMDVUXIGBCV-UHFFFAOYSA-N
MW237.69 g/mol
LogP2.23
Rot. Bonds3

About 3-[(3-chlorophenoxy)methyl]-1-methylpyrazol-5-amine

3-[(3-chlorophenoxy)methyl]-1-methylpyrazol-5-amine (PubChem CID 82083972) has the molecular formula C11H12ClN3O and a molecular weight of 237.69 g/mol. Its IUPAC name is 3-[(3-chlorophenoxy)methyl]-1-methylpyrazol-5-amine.

Molecular Properties

Compound Name3-[(3-chlorophenoxy)methyl]-1-methylpyrazol-5-amine
PubChem CID82083972
Molecular FormulaC11H12ClN3O
Molecular Weight237.69 g/mol
Exact Mass237.07
IUPAC Name3-[(3-chlorophenoxy)methyl]-1-methylpyrazol-5-amine
SMILESCn1nc(COc2cccc(Cl)c2)cc1N
InChIInChI=1S/C11H12ClN3O/c1-15-11(13)6-9(14-15)7-16-10-4-2-3-8(12)5-10/h2-6H,7,13H2,1H3
InChIKeyFSWMMDVUXIGBCV-UHFFFAOYSA-N
XLogP2.23
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.69
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[2-(3-chlorophenoxy)ethyl]-1-methylpyrazol-5-amine
CID 82087820
3-[(3-ethylphenoxy)methyl]-1-methylpyrazol-5-amine
CID 82082157
3-[(4-fluorophenoxy)methyl]-1-methylpyrazol-5-amine
CID 82079978
3-(2,3-dihydro-1H-inden-5-yloxymethyl)-1-methylpyrazol-5-amine
CID 82085161
1-methyl-3-[[2-(trifluoromethyl)phenoxy]methyl]pyrazol-5-amine
CID 117215894
3-[(3-chlorophenoxy)methyl]imidazo[1,2-a]pyridin-5-amine
CID 117255925
5-[(3-chlorophenoxy)methyl]-1,2-thiazol-3-amine
CID 117217070
4-[(3-chlorophenoxy)methyl]-2-methyl-1-propan-2-ylimidazole
CID 117191931
[2-[(3-chlorophenoxy)methyl]-4-methyl-1,3-thiazol-5-yl]methanamine
CID 82134233
[1-(3-chlorophenoxy)-3-(3-ethyl-1-methylpyrazol-5-yl)propan-2-yl]hydrazine
CID 105317037
2-[(3-chlorophenoxy)methyl]-1-methylindol-5-amine
CID 117176763
2-[(3-chlorophenoxy)methyl]-1-methylindol-6-amine
CID 117180203

Frequently Asked Questions

What is the IUPAC name of 3-[(3-chlorophenoxy)methyl]-1-methylpyrazol-5-amine?
The IUPAC name of 3-[(3-chlorophenoxy)methyl]-1-methylpyrazol-5-amine (CID 82083972) is 3-[(3-chlorophenoxy)methyl]-1-methylpyrazol-5-amine.
What is the SMILES notation for 3-[(3-chlorophenoxy)methyl]-1-methylpyrazol-5-amine?
The canonical SMILES for 3-[(3-chlorophenoxy)methyl]-1-methylpyrazol-5-amine is Cn1nc(COc2cccc(Cl)c2)cc1N.
What is the InChIKey of 3-[(3-chlorophenoxy)methyl]-1-methylpyrazol-5-amine?
The InChIKey is FSWMMDVUXIGBCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12ClN3O/c1-15-11(13)6-9(14-15)7-16-10-4-2-3-8(12)5-10/h2-6H,7,13H2,1H3.
What are the key properties of 3-[(3-chlorophenoxy)methyl]-1-methylpyrazol-5-amine?
3-[(3-chlorophenoxy)methyl]-1-methylpyrazol-5-amine has a molecular weight of 237.69 g/mol, XLogP of 2.23, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-chlorophenoxy)methyl]-1-methylpyrazol-5-amine is sourced from PubChem (CID 82083972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).