4-chloro-1-(4-ethoxyphenyl)-3-methylpyrazol-5-amine

C12H14ClN3O — CID 114020779

IUPAC4-chloro-1-(4-ethoxyphenyl)-3-methylpyrazol-5-amine
SMILESCCOc1ccc(-n2nc(C)c(Cl)c2N)cc1
InChIInChI=1S/C12H14ClN3O/c1-3-17-10-6-4-9(5-7-10)16-12(14)11(13)8(2)15-16/h4-7H,3,14H2,1-2H3
InChIKeyXNDAWPJNIQCGJH-UHFFFAOYSA-N
MW251.72 g/mol
LogP2.82
Rot. Bonds3

About 4-chloro-1-(4-ethoxyphenyl)-3-methylpyrazol-5-amine

4-chloro-1-(4-ethoxyphenyl)-3-methylpyrazol-5-amine (PubChem CID 114020779) has the molecular formula C12H14ClN3O and a molecular weight of 251.72 g/mol. Its IUPAC name is 4-chloro-1-(4-ethoxyphenyl)-3-methylpyrazol-5-amine.

Molecular Properties

Compound Name4-chloro-1-(4-ethoxyphenyl)-3-methylpyrazol-5-amine
PubChem CID114020779
Molecular FormulaC12H14ClN3O
Molecular Weight251.72 g/mol
Exact Mass251.08
IUPAC Name4-chloro-1-(4-ethoxyphenyl)-3-methylpyrazol-5-amine
SMILESCCOc1ccc(-n2nc(C)c(Cl)c2N)cc1
InChIInChI=1S/C12H14ClN3O/c1-3-17-10-6-4-9(5-7-10)16-12(14)11(13)8(2)15-16/h4-7H,3,14H2,1-2H3
InChIKeyXNDAWPJNIQCGJH-UHFFFAOYSA-N
XLogP2.82
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.72
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-chloro-1-(4-ethoxyphenyl)-3-methylpyrazole-4-carbaldehyde
CID 82303923
3-(2,2-dimethylpropyl)-1-(4-ethoxyphenyl)-4-iodopyrazol-5-amine
CID 107958439
ethyl 5-amino-4-chloro-1-(4-methoxyphenyl)pyrazole-3-carboxylate
CID 112707174
1-[1-(4-ethoxyphenyl)-3,5-dimethylpyrazol-4-yl]-N-methylmethanamine
CID 84760326
ethyl 5-amino-1-(4-methoxyphenyl)-3-methylpyrazole-4-carboxylate
CID 135372866
1-(4-ethoxyphenyl)-3-N,3-N-diethyl-1,2,4-triazole-3,5-diamine
CID 107958246
1-(4-ethoxyphenyl)-3-N,3-N-dimethyl-1,2,4-triazole-3,5-diamine
CID 107958243
5-chloro-1-(4-ethoxyphenyl)-3-(trifluoromethyl)pyrazole
CID 114020821
3-(4-ethoxyphenyl)-1-phenylpyrazol-5-amine
CID 43336761
1-[(4-ethoxyphenyl)methyl]-3,5-dimethylpyrazol-4-amine
CID 82294764
5-chloro-1-(4-ethoxyphenyl)-3-ethylpyrazole-4-carbonitrile
CID 107958515
3-(aminomethyl)-1-(4-ethoxyphenyl)-6-methylpyridazin-4-one
CID 82420041

Frequently Asked Questions

What is the IUPAC name of 4-chloro-1-(4-ethoxyphenyl)-3-methylpyrazol-5-amine?
The IUPAC name of 4-chloro-1-(4-ethoxyphenyl)-3-methylpyrazol-5-amine (CID 114020779) is 4-chloro-1-(4-ethoxyphenyl)-3-methylpyrazol-5-amine.
What is the SMILES notation for 4-chloro-1-(4-ethoxyphenyl)-3-methylpyrazol-5-amine?
The canonical SMILES for 4-chloro-1-(4-ethoxyphenyl)-3-methylpyrazol-5-amine is CCOc1ccc(-n2nc(C)c(Cl)c2N)cc1.
What is the InChIKey of 4-chloro-1-(4-ethoxyphenyl)-3-methylpyrazol-5-amine?
The InChIKey is XNDAWPJNIQCGJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14ClN3O/c1-3-17-10-6-4-9(5-7-10)16-12(14)11(13)8(2)15-16/h4-7H,3,14H2,1-2H3.
What are the key properties of 4-chloro-1-(4-ethoxyphenyl)-3-methylpyrazol-5-amine?
4-chloro-1-(4-ethoxyphenyl)-3-methylpyrazol-5-amine has a molecular weight of 251.72 g/mol, XLogP of 2.82, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-1-(4-ethoxyphenyl)-3-methylpyrazol-5-amine is sourced from PubChem (CID 114020779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).