1-(2-methoxyethyl)-N-[1-(2,4,5-trimethylphenyl)ethyl]pyrazol-4-amine

C17H25N3O — CID 43728870

IUPAC1-(2-methoxyethyl)-N-[1-(2,4,5-trimethylphenyl)ethyl]pyrazol-4-amine
SMILESCOCCn1cc(NC(C)c2cc(C)c(C)cc2C)cn1
InChIInChI=1S/C17H25N3O/c1-12-8-14(3)17(9-13(12)2)15(4)19-16-10-18-20(11-16)6-7-21-5/h8-11,15,19H,6-7H2,1-5H3
InChIKeyPNUZZAGHDBWFQV-UHFFFAOYSA-N
MW287.41 g/mol
LogP3.63
Rot. Bonds6

About 1-(2-methoxyethyl)-N-[1-(2,4,5-trimethylphenyl)ethyl]pyrazol-4-amine

1-(2-methoxyethyl)-N-[1-(2,4,5-trimethylphenyl)ethyl]pyrazol-4-amine (PubChem CID 43728870) has the molecular formula C17H25N3O and a molecular weight of 287.41 g/mol. Its IUPAC name is 1-(2-methoxyethyl)-N-[1-(2,4,5-trimethylphenyl)ethyl]pyrazol-4-amine.

Molecular Properties

Compound Name1-(2-methoxyethyl)-N-[1-(2,4,5-trimethylphenyl)ethyl]pyrazol-4-amine
PubChem CID43728870
Molecular FormulaC17H25N3O
Molecular Weight287.41 g/mol
Exact Mass287.20
IUPAC Name1-(2-methoxyethyl)-N-[1-(2,4,5-trimethylphenyl)ethyl]pyrazol-4-amine
SMILESCOCCn1cc(NC(C)c2cc(C)c(C)cc2C)cn1
InChIInChI=1S/C17H25N3O/c1-12-8-14(3)17(9-13(12)2)15(4)19-16-10-18-20(11-16)6-7-21-5/h8-11,15,19H,6-7H2,1-5H3
InChIKeyPNUZZAGHDBWFQV-UHFFFAOYSA-N
XLogP3.63
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.41
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2-methoxyethyl)-N-[1-(5-methylthiophen-2-yl)ethyl]pyrazol-4-amine
CID 43729057
1-(2-methoxyethyl)-N-(4-methylpentan-2-yl)pyrazol-4-amine
CID 43729075
2-N-[1-(2-methoxyethyl)pyrazol-4-yl]propane-1,2-diamine
CID 103388669
N-[1-(5-fluoro-2-pyridinyl)ethyl]-1-(2-methoxyethyl)pyrazol-4-amine
CID 83117285
N-[1-(2,3-dihydro-1H-inden-5-yl)ethyl]-1-(2-methoxyethyl)pyrazol-4-amine
CID 43728901
N-[(3,4-dimethylphenyl)methyl]-1-(2-methoxyethyl)pyrazol-4-amine
CID 43787752
N-ethyl-1-(2-methoxyethyl)pyrazol-4-amine
CID 43729152
1-(2-methoxyethyl)-N-[1-(1-propylpiperidin-4-yl)ethyl]pyrazol-4-amine
CID 43728912
1-(2-methoxyethyl)-N-(4-phenylbutan-2-yl)pyrazol-4-amine
CID 43729083
N-[(2S)-1-methoxypropan-2-yl]-1-propylpyrazol-4-amine
CID 97338513
N-[1-(3,4-dimethylphenyl)ethyl]-1-ethylpyrazol-4-amine
CID 43543382
1-[1-(2-methoxyethyl)pyrazol-4-yl]-3-(1-methoxypropan-2-yl)thiourea
CID 113226468

Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxyethyl)-N-[1-(2,4,5-trimethylphenyl)ethyl]pyrazol-4-amine?
The IUPAC name of 1-(2-methoxyethyl)-N-[1-(2,4,5-trimethylphenyl)ethyl]pyrazol-4-amine (CID 43728870) is 1-(2-methoxyethyl)-N-[1-(2,4,5-trimethylphenyl)ethyl]pyrazol-4-amine.
What is the SMILES notation for 1-(2-methoxyethyl)-N-[1-(2,4,5-trimethylphenyl)ethyl]pyrazol-4-amine?
The canonical SMILES for 1-(2-methoxyethyl)-N-[1-(2,4,5-trimethylphenyl)ethyl]pyrazol-4-amine is COCCn1cc(NC(C)c2cc(C)c(C)cc2C)cn1.
What is the InChIKey of 1-(2-methoxyethyl)-N-[1-(2,4,5-trimethylphenyl)ethyl]pyrazol-4-amine?
The InChIKey is PNUZZAGHDBWFQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3O/c1-12-8-14(3)17(9-13(12)2)15(4)19-16-10-18-20(11-16)6-7-21-5/h8-11,15,19H,6-7H2,1-5H3.
What are the key properties of 1-(2-methoxyethyl)-N-[1-(2,4,5-trimethylphenyl)ethyl]pyrazol-4-amine?
1-(2-methoxyethyl)-N-[1-(2,4,5-trimethylphenyl)ethyl]pyrazol-4-amine has a molecular weight of 287.41 g/mol, XLogP of 3.63, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxyethyl)-N-[1-(2,4,5-trimethylphenyl)ethyl]pyrazol-4-amine is sourced from PubChem (CID 43728870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).