N-[(3-chloro-4,5-dimethoxyphenyl)methyl]-3-ethyl-1-methylpyrazol-4-amine

C15H20ClN3O2 — CID 103909106

IUPACN-[(3-chloro-4,5-dimethoxyphenyl)methyl]-3-ethyl-1-methylpyrazol-4-amine
SMILESCCc1nn(C)cc1NCc1cc(Cl)c(OC)c(OC)c1
InChIInChI=1S/C15H20ClN3O2/c1-5-12-13(9-19(2)18-12)17-8-10-6-11(16)15(21-4)14(7-10)20-3/h6-7,9,17H,5,8H2,1-4H3
InChIKeyJDQIOPGJPRQRKB-UHFFFAOYSA-N
MW309.80 g/mol
LogP3.27
Rot. Bonds6

About N-[(3-chloro-4,5-dimethoxyphenyl)methyl]-3-ethyl-1-methylpyrazol-4-amine

N-[(3-chloro-4,5-dimethoxyphenyl)methyl]-3-ethyl-1-methylpyrazol-4-amine (PubChem CID 103909106) has the molecular formula C15H20ClN3O2 and a molecular weight of 309.80 g/mol. Its IUPAC name is N-[(3-chloro-4,5-dimethoxyphenyl)methyl]-3-ethyl-1-methylpyrazol-4-amine.

Molecular Properties

Compound NameN-[(3-chloro-4,5-dimethoxyphenyl)methyl]-3-ethyl-1-methylpyrazol-4-amine
PubChem CID103909106
Molecular FormulaC15H20ClN3O2
Molecular Weight309.80 g/mol
Exact Mass309.12
IUPAC NameN-[(3-chloro-4,5-dimethoxyphenyl)methyl]-3-ethyl-1-methylpyrazol-4-amine
SMILESCCc1nn(C)cc1NCc1cc(Cl)c(OC)c(OC)c1
InChIInChI=1S/C15H20ClN3O2/c1-5-12-13(9-19(2)18-12)17-8-10-6-11(16)15(21-4)14(7-10)20-3/h6-7,9,17H,5,8H2,1-4H3
InChIKeyJDQIOPGJPRQRKB-UHFFFAOYSA-N
XLogP3.27
TPSA48.31 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.80
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-[[(3-ethyl-1-methylpyrazol-4-yl)amino]methyl]-2,6-dimethoxyphenol
CID 107462452
2-bromo-4-[[(3-ethyl-1-methylpyrazol-4-yl)amino]methyl]-6-methoxyphenol
CID 103909123
2-chloro-N-[(3-chloro-4,5-dimethoxyphenyl)methyl]pyridin-3-amine
CID 43782434
N-[(2,5-dimethoxyphenyl)methyl]-3-ethyl-1-methylpyrazol-4-amine
CID 103909000
3-ethyl-1-methyl-N-[(3,4,5-trifluorophenyl)methyl]pyrazol-4-amine
CID 103909014
N-[(3-chloro-4,5-dimethoxyphenyl)methyl]-1-ethylpyrazol-4-amine
CID 43776973
2-chloro-N-[(3-chloro-4,5-dimethoxyphenyl)methyl]-4-methylaniline
CID 43772637
N-[(2-chlorophenyl)methyl]-3-ethyl-1-methylpyrazol-4-amine
CID 103909171
3-ethyl-N-[[3-(methoxymethyl)phenyl]methyl]-1-methylpyrazol-4-amine
CID 103909192
2-ethoxy-4-[[(3-ethyl-1-methylpyrazol-4-yl)amino]methyl]phenol
CID 107462470
N-[(3-chloro-5-ethoxy-4-methoxyphenyl)methyl]-3-ethyl-1-methylpyrazol-5-amine
CID 71855762
4-bromo-N-[(3-chloro-4,5-dimethoxyphenyl)methyl]-2-methylaniline
CID 43226477

Frequently Asked Questions

What is the IUPAC name of N-[(3-chloro-4,5-dimethoxyphenyl)methyl]-3-ethyl-1-methylpyrazol-4-amine?
The IUPAC name of N-[(3-chloro-4,5-dimethoxyphenyl)methyl]-3-ethyl-1-methylpyrazol-4-amine (CID 103909106) is N-[(3-chloro-4,5-dimethoxyphenyl)methyl]-3-ethyl-1-methylpyrazol-4-amine.
What is the SMILES notation for N-[(3-chloro-4,5-dimethoxyphenyl)methyl]-3-ethyl-1-methylpyrazol-4-amine?
The canonical SMILES for N-[(3-chloro-4,5-dimethoxyphenyl)methyl]-3-ethyl-1-methylpyrazol-4-amine is CCc1nn(C)cc1NCc1cc(Cl)c(OC)c(OC)c1.
What is the InChIKey of N-[(3-chloro-4,5-dimethoxyphenyl)methyl]-3-ethyl-1-methylpyrazol-4-amine?
The InChIKey is JDQIOPGJPRQRKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20ClN3O2/c1-5-12-13(9-19(2)18-12)17-8-10-6-11(16)15(21-4)14(7-10)20-3/h6-7,9,17H,5,8H2,1-4H3.
What are the key properties of N-[(3-chloro-4,5-dimethoxyphenyl)methyl]-3-ethyl-1-methylpyrazol-4-amine?
N-[(3-chloro-4,5-dimethoxyphenyl)methyl]-3-ethyl-1-methylpyrazol-4-amine has a molecular weight of 309.80 g/mol, XLogP of 3.27, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-chloro-4,5-dimethoxyphenyl)methyl]-3-ethyl-1-methylpyrazol-4-amine is sourced from PubChem (CID 103909106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).