N-[(3-chloro-5-ethoxy-4-methoxyphenyl)methyl]-3-ethyl-1-methylpyrazol-5-amine

C16H22ClN3O2 — CID 71855762

IUPACN-[(3-chloro-5-ethoxy-4-methoxyphenyl)methyl]-3-ethyl-1-methylpyrazol-5-amine
SMILESCCOc1cc(CNc2cc(CC)nn2C)cc(Cl)c1OC
InChIInChI=1S/C16H22ClN3O2/c1-5-12-9-15(20(3)19-12)18-10-11-7-13(17)16(21-4)14(8-11)22-6-2/h7-9,18H,5-6,10H2,1-4H3
InChIKeyORBMZECHAVSHOI-UHFFFAOYSA-N
MW323.82 g/mol
LogP3.66
Rot. Bonds7

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

N-[(3-chloro-5-ethoxy-4-methoxyphenyl)methyl]-3-ethyl-1-methylpyrazol-5-amine (PubChem CID 71855762) has the molecular formula C16H22ClN3O2 and a molecular weight of 323.82 g/mol. Its IUPAC name is N-[(3-chloro-5-ethoxy-4-methoxyphenyl)methyl]-3-ethyl-1-methylpyrazol-5-amine.

Molecular Properties

Compound NameN-[(3-chloro-5-ethoxy-4-methoxyphenyl)methyl]-3-ethyl-1-methylpyrazol-5-amine
PubChem CID71855762
Molecular FormulaC16H22ClN3O2
Molecular Weight323.82 g/mol
Exact Mass323.14
IUPAC NameN-[(3-chloro-5-ethoxy-4-methoxyphenyl)methyl]-3-ethyl-1-methylpyrazol-5-amine
SMILESCCOc1cc(CNc2cc(CC)nn2C)cc(Cl)c1OC
InChIInChI=1S/C16H22ClN3O2/c1-5-12-9-15(20(3)19-12)18-10-11-7-13(17)16(21-4)14(8-11)22-6-2/h7-9,18H,5-6,10H2,1-4H3
InChIKeyORBMZECHAVSHOI-UHFFFAOYSA-N
XLogP3.66
TPSA48.31 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.82
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(3-chloro-5-ethoxy-4-methoxyphenyl)-N-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl]methanamine
CID 56822512
N-[(3-chloro-5-ethoxy-4-methoxyphenyl)methyl]-1-prop-2-enyltetrazol-5-amine
CID 4726668
N-[(3-chloro-5-ethoxy-4-methoxyphenyl)methyl]propan-1-amine;hydrochloride
CID 17292224
1-[(3-chloro-5-ethoxy-4-methoxyphenyl)methylamino]-2-methylpropan-2-ol
CID 119128569
N-[(3-chloro-4,5-dimethoxyphenyl)methyl]-3-ethyl-1-methylpyrazol-4-amine
CID 103909106
(2S)-N-[(3-chloro-5-ethoxy-4-methoxyphenyl)methyl]butan-2-amine
CID 40726527
N-[(3-chloro-5-ethoxy-4-methoxyphenyl)methyl]-3-methylbutan-1-amine
CID 17210555
N-[(3-chloro-5-ethoxy-4-methoxyphenyl)methyl]-1-(4-methylphenyl)methanamine;hydrochloride
CID 17332519
N-[(3-chloro-5-ethoxy-4-methoxyphenyl)methyl]heptan-1-amine
CID 4717579
N-[(3-chloro-4,5-diethoxyphenyl)methyl]-4-ethylaniline
CID 126127441
N-[(3-chloro-5-ethoxy-4-methoxyphenyl)methyl]-1,1-dicyclopropylmethanamine
CID 86849128
3-[(3-chloro-5-ethoxy-4-methoxyphenyl)methylamino]-2-methylbutan-1-ol
CID 111448535

Frequently Asked Questions

What is the IUPAC name of N-[(3-chloro-5-ethoxy-4-methoxyphenyl)methyl]-3-ethyl-1-methylpyrazol-5-amine?
The IUPAC name of N-[(3-chloro-5-ethoxy-4-methoxyphenyl)methyl]-3-ethyl-1-methylpyrazol-5-amine (CID 71855762) is N-[(3-chloro-5-ethoxy-4-methoxyphenyl)methyl]-3-ethyl-1-methylpyrazol-5-amine.
What is the SMILES notation for N-[(3-chloro-5-ethoxy-4-methoxyphenyl)methyl]-3-ethyl-1-methylpyrazol-5-amine?
The canonical SMILES for N-[(3-chloro-5-ethoxy-4-methoxyphenyl)methyl]-3-ethyl-1-methylpyrazol-5-amine is CCOc1cc(CNc2cc(CC)nn2C)cc(Cl)c1OC.
What is the InChIKey of N-[(3-chloro-5-ethoxy-4-methoxyphenyl)methyl]-3-ethyl-1-methylpyrazol-5-amine?
The InChIKey is ORBMZECHAVSHOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22ClN3O2/c1-5-12-9-15(20(3)19-12)18-10-11-7-13(17)16(21-4)14(8-11)22-6-2/h7-9,18H,5-6,10H2,1-4H3.
What are the key properties of N-[(3-chloro-5-ethoxy-4-methoxyphenyl)methyl]-3-ethyl-1-methylpyrazol-5-amine?
N-[(3-chloro-5-ethoxy-4-methoxyphenyl)methyl]-3-ethyl-1-methylpyrazol-5-amine has a molecular weight of 323.82 g/mol, XLogP of 3.66, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-chloro-5-ethoxy-4-methoxyphenyl)methyl]-3-ethyl-1-methylpyrazol-5-amine is sourced from PubChem (CID 71855762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).