(1-ethyl-4-methoxypyrazol-5-yl)-(3-methylimidazol-4-yl)methanamine

C11H17N5O — CID 114660139

IUPAC(1-ethyl-4-methoxypyrazol-5-yl)-(3-methylimidazol-4-yl)methanamine
SMILESCCn1ncc(OC)c1C(N)c1cncn1C
InChIInChI=1S/C11H17N5O/c1-4-16-11(9(17-3)6-14-16)10(12)8-5-13-7-15(8)2/h5-7,10H,4,12H2,1-3H3
InChIKeyHJVCZUSEJIYRGV-UHFFFAOYSA-N
MW235.29 g/mol
LogP0.69
Rot. Bonds4

About (1-ethyl-4-methoxypyrazol-5-yl)-(3-methylimidazol-4-yl)methanamine

(1-ethyl-4-methoxypyrazol-5-yl)-(3-methylimidazol-4-yl)methanamine (PubChem CID 114660139) has the molecular formula C11H17N5O and a molecular weight of 235.29 g/mol. Its IUPAC name is (1-ethyl-4-methoxypyrazol-5-yl)-(3-methylimidazol-4-yl)methanamine.

Molecular Properties

Compound Name(1-ethyl-4-methoxypyrazol-5-yl)-(3-methylimidazol-4-yl)methanamine
PubChem CID114660139
Molecular FormulaC11H17N5O
Molecular Weight235.29 g/mol
Exact Mass235.14
IUPAC Name(1-ethyl-4-methoxypyrazol-5-yl)-(3-methylimidazol-4-yl)methanamine
SMILESCCn1ncc(OC)c1C(N)c1cncn1C
InChIInChI=1S/C11H17N5O/c1-4-16-11(9(17-3)6-14-16)10(12)8-5-13-7-15(8)2/h5-7,10H,4,12H2,1-3H3
InChIKeyHJVCZUSEJIYRGV-UHFFFAOYSA-N
XLogP0.69
TPSA70.89 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.29
LogP ≤ 50.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

(2,6-dichlorophenyl)-(1-ethyl-4-methoxypyrazol-5-yl)methanamine
CID 105047710
(2,6-difluorophenyl)-(1-ethyl-4-methoxypyrazol-5-yl)methanamine
CID 114657653
(1-ethyl-4-methoxypyrazol-5-yl)-(5-methylpyrazin-2-yl)methanamine
CID 105186704
1-(1-ethyl-4-methoxypyrazol-5-yl)-2-methoxypropan-1-amine
CID 114657669
1-(1-ethyl-4-methoxypyrazol-5-yl)-2,2,2-trifluoroethanamine
CID 105047700
(1-ethyl-4-methoxypyrazol-5-yl)-(4-methylthiophen-3-yl)methanamine
CID 114658384
(2,4-dimethoxyphenyl)-(1-ethyl-4-methoxypyrazol-5-yl)methanamine
CID 105047931
(1-ethyl-4-methoxypyrazol-5-yl)-(3-fluoro-5-methylphenyl)methanamine
CID 114659168
(1-ethyl-4-methoxypyrazol-5-yl)-(2,3,4-trifluorophenyl)methanamine
CID 105047748
(3,4-difluorophenyl)-(1-ethyl-4-methoxypyrazol-5-yl)methanamine
CID 114646610
1-(1-ethyl-4-methoxypyrazol-5-yl)hexan-1-amine
CID 105047983
1-(1-ethyl-4-methoxypyrazol-5-yl)-2-ethylsulfanylethanamine
CID 114653438

Frequently Asked Questions

What is the IUPAC name of (1-ethyl-4-methoxypyrazol-5-yl)-(3-methylimidazol-4-yl)methanamine?
The IUPAC name of (1-ethyl-4-methoxypyrazol-5-yl)-(3-methylimidazol-4-yl)methanamine (CID 114660139) is (1-ethyl-4-methoxypyrazol-5-yl)-(3-methylimidazol-4-yl)methanamine.
What is the SMILES notation for (1-ethyl-4-methoxypyrazol-5-yl)-(3-methylimidazol-4-yl)methanamine?
The canonical SMILES for (1-ethyl-4-methoxypyrazol-5-yl)-(3-methylimidazol-4-yl)methanamine is CCn1ncc(OC)c1C(N)c1cncn1C.
What is the InChIKey of (1-ethyl-4-methoxypyrazol-5-yl)-(3-methylimidazol-4-yl)methanamine?
The InChIKey is HJVCZUSEJIYRGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N5O/c1-4-16-11(9(17-3)6-14-16)10(12)8-5-13-7-15(8)2/h5-7,10H,4,12H2,1-3H3.
What are the key properties of (1-ethyl-4-methoxypyrazol-5-yl)-(3-methylimidazol-4-yl)methanamine?
(1-ethyl-4-methoxypyrazol-5-yl)-(3-methylimidazol-4-yl)methanamine has a molecular weight of 235.29 g/mol, XLogP of 0.69, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (1-ethyl-4-methoxypyrazol-5-yl)-(3-methylimidazol-4-yl)methanamine is sourced from PubChem (CID 114660139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).