5-[(4-chloro-3-methylphenoxy)methyl]-1H-pyrazol-3-amine

C11H12ClN3O — CID 82083976

IUPAC5-[(4-chloro-3-methylphenoxy)methyl]-1H-pyrazol-3-amine
SMILESCc1cc(OCc2cc(N)n[nH]2)ccc1Cl
InChIInChI=1S/C11H12ClN3O/c1-7-4-9(2-3-10(7)12)16-6-8-5-11(13)15-14-8/h2-5H,6H2,1H3,(H3,13,14,15)
InChIKeyVHDHORMOJKWXOB-UHFFFAOYSA-N
MW237.69 g/mol
LogP2.53
Rot. Bonds3

About 5-[(4-chloro-3-methylphenoxy)methyl]-1H-pyrazol-3-amine

5-[(4-chloro-3-methylphenoxy)methyl]-1H-pyrazol-3-amine (PubChem CID 82083976) has the molecular formula C11H12ClN3O and a molecular weight of 237.69 g/mol. Its IUPAC name is 5-[(4-chloro-3-methylphenoxy)methyl]-1H-pyrazol-3-amine.

Molecular Properties

Compound Name5-[(4-chloro-3-methylphenoxy)methyl]-1H-pyrazol-3-amine
PubChem CID82083976
Molecular FormulaC11H12ClN3O
Molecular Weight237.69 g/mol
Exact Mass237.07
IUPAC Name5-[(4-chloro-3-methylphenoxy)methyl]-1H-pyrazol-3-amine
SMILESCc1cc(OCc2cc(N)n[nH]2)ccc1Cl
InChIInChI=1S/C11H12ClN3O/c1-7-4-9(2-3-10(7)12)16-6-8-5-11(13)15-14-8/h2-5H,6H2,1H3,(H3,13,14,15)
InChIKeyVHDHORMOJKWXOB-UHFFFAOYSA-N
XLogP2.53
TPSA63.93 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.69
LogP ≤ 52.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-[(4-chloro-3-methylphenoxy)methyl]-1H-pyrazole-3-carboxylic acid
CID 82092065
5-[(4-propan-2-ylphenoxy)methyl]-1H-pyrazol-3-amine
CID 82082161
5-[(2,4,6-trimethylphenoxy)methyl]-1H-pyrazol-3-amine
CID 82082176
[2-[(4-chloro-3-methylphenoxy)methyl]-1H-imidazol-5-yl]methanamine
CID 82298036
5-[(4-chloro-3-methylphenoxy)methyl]-3-[(4-methylphenyl)methylsulfanyl]-1H-1,2,4-triazole
CID 7878885
4-[2-(4-chloro-3-methylphenoxy)ethoxy]-2-methylaniline
CID 39399817
ethyl (2S)-2-[[5-[(4-chloro-3-methylphenoxy)methyl]-1H-1,2,4-triazol-3-yl]sulfanyl]-2-phenylacetate
CID 7878939
2-(4-chloro-3-methylphenoxy)-N'-[2-(4-chloro-3-methylphenoxy)acetyl]acetohydrazide
CID 3554706
3-[(4-chloro-3-methylphenoxy)methyl]-4-ethylaniline
CID 12526906
tert-butyl 2-[[5-[(4-chloro-3-methylphenoxy)methyl]-1H-1,2,4-triazol-3-yl]sulfanyl]acetate
CID 7878906
1-chloro-4-[4-(4-chloro-3-methylphenoxy)but-2-enoxy]-2-methylbenzene
CID 3397879
5-[(3,4-dichlorophenyl)methyl]-1H-pyrazol-3-amine
CID 82084834

Frequently Asked Questions

What is the IUPAC name of 5-[(4-chloro-3-methylphenoxy)methyl]-1H-pyrazol-3-amine?
The IUPAC name of 5-[(4-chloro-3-methylphenoxy)methyl]-1H-pyrazol-3-amine (CID 82083976) is 5-[(4-chloro-3-methylphenoxy)methyl]-1H-pyrazol-3-amine.
What is the SMILES notation for 5-[(4-chloro-3-methylphenoxy)methyl]-1H-pyrazol-3-amine?
The canonical SMILES for 5-[(4-chloro-3-methylphenoxy)methyl]-1H-pyrazol-3-amine is Cc1cc(OCc2cc(N)n[nH]2)ccc1Cl.
What is the InChIKey of 5-[(4-chloro-3-methylphenoxy)methyl]-1H-pyrazol-3-amine?
The InChIKey is VHDHORMOJKWXOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12ClN3O/c1-7-4-9(2-3-10(7)12)16-6-8-5-11(13)15-14-8/h2-5H,6H2,1H3,(H3,13,14,15).
What are the key properties of 5-[(4-chloro-3-methylphenoxy)methyl]-1H-pyrazol-3-amine?
5-[(4-chloro-3-methylphenoxy)methyl]-1H-pyrazol-3-amine has a molecular weight of 237.69 g/mol, XLogP of 2.53, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4-chloro-3-methylphenoxy)methyl]-1H-pyrazol-3-amine is sourced from PubChem (CID 82083976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).