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

C12H17N3OS — CID 114658384

IUPAC(1-ethyl-4-methoxypyrazol-5-yl)-(4-methylthiophen-3-yl)methanamine
SMILESCCn1ncc(OC)c1C(N)c1cscc1C
InChIInChI=1S/C12H17N3OS/c1-4-15-12(10(16-3)5-14-15)11(13)9-7-17-6-8(9)2/h5-7,11H,4,13H2,1-3H3
InChIKeyOWPLUNFZYATVAZ-UHFFFAOYSA-N
MW251.35 g/mol
LogP2.33
Rot. Bonds4

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

(1-ethyl-4-methoxypyrazol-5-yl)-(4-methylthiophen-3-yl)methanamine (PubChem CID 114658384) has the molecular formula C12H17N3OS and a molecular weight of 251.35 g/mol. Its IUPAC name is (1-ethyl-4-methoxypyrazol-5-yl)-(4-methylthiophen-3-yl)methanamine.

Molecular Properties

Compound Name(1-ethyl-4-methoxypyrazol-5-yl)-(4-methylthiophen-3-yl)methanamine
PubChem CID114658384
Molecular FormulaC12H17N3OS
Molecular Weight251.35 g/mol
Exact Mass251.11
IUPAC Name(1-ethyl-4-methoxypyrazol-5-yl)-(4-methylthiophen-3-yl)methanamine
SMILESCCn1ncc(OC)c1C(N)c1cscc1C
InChIInChI=1S/C12H17N3OS/c1-4-15-12(10(16-3)5-14-15)11(13)9-7-17-6-8(9)2/h5-7,11H,4,13H2,1-3H3
InChIKeyOWPLUNFZYATVAZ-UHFFFAOYSA-N
XLogP2.33
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.35
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(2,4-dimethoxyphenyl)-(1-ethyl-4-methoxypyrazol-5-yl)methanamine
CID 105047931
(1-ethyl-4-methoxypyrazol-5-yl)-(2,3,4-trifluorophenyl)methanamine
CID 105047748
(1-ethyl-4-methoxypyrazol-5-yl)-(5-methylpyrazin-2-yl)methanamine
CID 105186704
(1-ethyl-4-methoxypyrazol-5-yl)-(3-fluoro-5-methylphenyl)methanamine
CID 114659168
1-(1-ethyl-4-methoxypyrazol-5-yl)-2-ethylsulfanylethanamine
CID 114653438
(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)-(3-methylimidazol-4-yl)methanamine
CID 114660139
(4-methoxy-1-propylpyrazol-5-yl)-(4-methyl-3-pyridinyl)methanamine
CID 114877837
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
2-[4-methoxy-5-[methylamino-(4-methylthiophen-3-yl)methyl]pyrazol-1-yl]-N,N-dimethylethanamine
CID 114658403

Frequently Asked Questions

What is the IUPAC name of (1-ethyl-4-methoxypyrazol-5-yl)-(4-methylthiophen-3-yl)methanamine?
The IUPAC name of (1-ethyl-4-methoxypyrazol-5-yl)-(4-methylthiophen-3-yl)methanamine (CID 114658384) is (1-ethyl-4-methoxypyrazol-5-yl)-(4-methylthiophen-3-yl)methanamine.
What is the SMILES notation for (1-ethyl-4-methoxypyrazol-5-yl)-(4-methylthiophen-3-yl)methanamine?
The canonical SMILES for (1-ethyl-4-methoxypyrazol-5-yl)-(4-methylthiophen-3-yl)methanamine is CCn1ncc(OC)c1C(N)c1cscc1C.
What is the InChIKey of (1-ethyl-4-methoxypyrazol-5-yl)-(4-methylthiophen-3-yl)methanamine?
The InChIKey is OWPLUNFZYATVAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3OS/c1-4-15-12(10(16-3)5-14-15)11(13)9-7-17-6-8(9)2/h5-7,11H,4,13H2,1-3H3.
What are the key properties of (1-ethyl-4-methoxypyrazol-5-yl)-(4-methylthiophen-3-yl)methanamine?
(1-ethyl-4-methoxypyrazol-5-yl)-(4-methylthiophen-3-yl)methanamine has a molecular weight of 251.35 g/mol, XLogP of 2.33, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1-ethyl-4-methoxypyrazol-5-yl)-(4-methylthiophen-3-yl)methanamine is sourced from PubChem (CID 114658384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).