4-chloro-1-[(4-ethoxyphenoxy)methyl]pyrazol-3-amine

C12H14ClN3O2 — CID 19618340

IUPAC4-chloro-1-[(4-ethoxyphenoxy)methyl]pyrazol-3-amine
SMILESCCOc1ccc(OCn2cc(Cl)c(N)n2)cc1
InChIInChI=1S/C12H14ClN3O2/c1-2-17-9-3-5-10(6-4-9)18-8-16-7-11(13)12(14)15-16/h3-7H,2,8H2,1H3,(H2,14,15)
InChIKeyCQGAZJSHAHRNRK-UHFFFAOYSA-N
MW267.72 g/mol
LogP2.55
Rot. Bonds5

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

4-chloro-1-[(4-ethoxyphenoxy)methyl]pyrazol-3-amine (PubChem CID 19618340) has the molecular formula C12H14ClN3O2 and a molecular weight of 267.72 g/mol. Its IUPAC name is 4-chloro-1-[(4-ethoxyphenoxy)methyl]pyrazol-3-amine.

Molecular Properties

Compound Name4-chloro-1-[(4-ethoxyphenoxy)methyl]pyrazol-3-amine
PubChem CID19618340
Molecular FormulaC12H14ClN3O2
Molecular Weight267.72 g/mol
Exact Mass267.08
IUPAC Name4-chloro-1-[(4-ethoxyphenoxy)methyl]pyrazol-3-amine
SMILESCCOc1ccc(OCn2cc(Cl)c(N)n2)cc1
InChIInChI=1S/C12H14ClN3O2/c1-2-17-9-3-5-10(6-4-9)18-8-16-7-11(13)12(14)15-16/h3-7H,2,8H2,1H3,(H2,14,15)
InChIKeyCQGAZJSHAHRNRK-UHFFFAOYSA-N
XLogP2.55
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.72
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-chloro-1-[(4-propoxyphenoxy)methyl]pyrazol-3-amine
CID 19618327
4-chloro-1-[(3,4-dichlorophenoxy)methyl]pyrazol-3-amine
CID 19618317
4-chloro-1-[(4-ethoxyphenoxy)methyl]pyrazole-3-carboxylic acid
CID 19618755
4-chloro-1-[(2,6-dichlorophenoxy)methyl]pyrazol-3-amine
CID 19618319
4-chloro-1-ethylpyrazol-3-amine
CID 19576739
4-chloro-1-[(4-methylphenoxy)methyl]pyrazole-3-carbohydrazide
CID 19618842
4-chloro-1-[(4-propan-2-ylphenoxy)methyl]pyrazole-3-carbohydrazide
CID 19618822
1-[(4-ethoxyphenyl)methyl]pyrazol-4-amine
CID 82285149
3,5-dichloro-6-(4-ethoxyphenyl)pyridin-2-amine
CID 102752955
4-chloro-1-(4-ethoxyphenyl)-3-methylpyrazol-5-amine
CID 114020779
4-chloro-1-[2-[(2-methylpropan-2-yl)oxy]ethyl]pyrazol-3-amine
CID 112589426
N-[4-chloro-1-[(4-chlorophenyl)methyl]pyrazol-3-yl]-4-ethoxybenzamide
CID 19407215

Frequently Asked Questions

What is the IUPAC name of 4-chloro-1-[(4-ethoxyphenoxy)methyl]pyrazol-3-amine?
The IUPAC name of 4-chloro-1-[(4-ethoxyphenoxy)methyl]pyrazol-3-amine (CID 19618340) is 4-chloro-1-[(4-ethoxyphenoxy)methyl]pyrazol-3-amine.
What is the SMILES notation for 4-chloro-1-[(4-ethoxyphenoxy)methyl]pyrazol-3-amine?
The canonical SMILES for 4-chloro-1-[(4-ethoxyphenoxy)methyl]pyrazol-3-amine is CCOc1ccc(OCn2cc(Cl)c(N)n2)cc1.
What is the InChIKey of 4-chloro-1-[(4-ethoxyphenoxy)methyl]pyrazol-3-amine?
The InChIKey is CQGAZJSHAHRNRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14ClN3O2/c1-2-17-9-3-5-10(6-4-9)18-8-16-7-11(13)12(14)15-16/h3-7H,2,8H2,1H3,(H2,14,15).
What are the key properties of 4-chloro-1-[(4-ethoxyphenoxy)methyl]pyrazol-3-amine?
4-chloro-1-[(4-ethoxyphenoxy)methyl]pyrazol-3-amine has a molecular weight of 267.72 g/mol, XLogP of 2.55, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-1-[(4-ethoxyphenoxy)methyl]pyrazol-3-amine is sourced from PubChem (CID 19618340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).