1-(2-methoxyethyl)-N-[(5-methylthiophen-2-yl)methyl]pyrazol-4-amine

C12H17N3OS — CID 43728887

IUPAC1-(2-methoxyethyl)-N-[(5-methylthiophen-2-yl)methyl]pyrazol-4-amine
SMILESCOCCn1cc(NCc2ccc(C)s2)cn1
InChIInChI=1S/C12H17N3OS/c1-10-3-4-12(17-10)8-13-11-7-14-15(9-11)5-6-16-2/h3-4,7,9,13H,5-6,8H2,1-2H3
InChIKeyLKYHVAOSZPFBGM-UHFFFAOYSA-N
MW251.35 g/mol
LogP2.51
Rot. Bonds6

About 1-(2-methoxyethyl)-N-[(5-methylthiophen-2-yl)methyl]pyrazol-4-amine

1-(2-methoxyethyl)-N-[(5-methylthiophen-2-yl)methyl]pyrazol-4-amine (PubChem CID 43728887) has the molecular formula C12H17N3OS and a molecular weight of 251.35 g/mol. Its IUPAC name is 1-(2-methoxyethyl)-N-[(5-methylthiophen-2-yl)methyl]pyrazol-4-amine.

Molecular Properties

Compound Name1-(2-methoxyethyl)-N-[(5-methylthiophen-2-yl)methyl]pyrazol-4-amine
PubChem CID43728887
Molecular FormulaC12H17N3OS
Molecular Weight251.35 g/mol
Exact Mass251.11
IUPAC Name1-(2-methoxyethyl)-N-[(5-methylthiophen-2-yl)methyl]pyrazol-4-amine
SMILESCOCCn1cc(NCc2ccc(C)s2)cn1
InChIInChI=1S/C12H17N3OS/c1-10-3-4-12(17-10)8-13-11-7-14-15(9-11)5-6-16-2/h3-4,7,9,13H,5-6,8H2,1-2H3
InChIKeyLKYHVAOSZPFBGM-UHFFFAOYSA-N
XLogP2.51
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.35
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[2-(Dimethylamino)-2-thiophen-2-ylethyl]-3-(1-ethylpyrazol-4-yl)urea
CID 45821374
1-[1-(5-Chlorothiophen-2-yl)ethyl]-3-[1-(2-methoxyethyl)pyrazol-4-yl]urea
CID 45831812
N-[(5-methylthiophen-2-yl)methyl]-2-[2-(pyrazol-1-ylmethyl)morpholin-4-yl]acetamide
CID 53564453
1-(4-methylpyrazol-1-yl)-N-(2-thiophen-2-ylethyl)propan-2-amine
CID 53617924
N-(1-(tetrahydrofuran-3-yl)-1H-pyrazol-4-yl)-2-(thiophen-2-yl)acetamide
CID 71810100
2-(5-methylthiophen-2-yl)-2-morpholin-4-yl-N-[(1-propylpyrazol-4-yl)methyl]ethanamine
CID 72133393
2-(5-methylthiophen-2-yl)-2-morpholin-4-yl-N-[(1-propan-2-ylpyrazol-4-yl)methyl]ethanamine
CID 72136691
N-[(1-ethylpyrazol-4-yl)methyl]-2-(5-methylthiophen-2-yl)-2-morpholin-4-ylethanamine
CID 72136988
N-[2-(dimethylamino)ethyl]-N'-(1-methyl-1H-pyrazol-4-yl)-N-[(5-methyl-2-thienyl)methyl]urea
CID 72858144
N-{1-[(S)-perhydro-3-furyl]-4-pyrazolyl}(2-thienyl)acetamide
CID 97428064
N-[1-[2-(dimethylamino)ethyl]pyrazol-4-yl]-2-thiophen-2-ylacetamide
CID 49092892
3-pyrazol-1-yl-N-(2-thiophen-2-ylethyl)butan-2-amine
CID 53620199

Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxyethyl)-N-[(5-methylthiophen-2-yl)methyl]pyrazol-4-amine?
The IUPAC name of 1-(2-methoxyethyl)-N-[(5-methylthiophen-2-yl)methyl]pyrazol-4-amine (CID 43728887) is 1-(2-methoxyethyl)-N-[(5-methylthiophen-2-yl)methyl]pyrazol-4-amine.
What is the SMILES notation for 1-(2-methoxyethyl)-N-[(5-methylthiophen-2-yl)methyl]pyrazol-4-amine?
The canonical SMILES for 1-(2-methoxyethyl)-N-[(5-methylthiophen-2-yl)methyl]pyrazol-4-amine is COCCn1cc(NCc2ccc(C)s2)cn1.
What is the InChIKey of 1-(2-methoxyethyl)-N-[(5-methylthiophen-2-yl)methyl]pyrazol-4-amine?
The InChIKey is LKYHVAOSZPFBGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3OS/c1-10-3-4-12(17-10)8-13-11-7-14-15(9-11)5-6-16-2/h3-4,7,9,13H,5-6,8H2,1-2H3.
What are the key properties of 1-(2-methoxyethyl)-N-[(5-methylthiophen-2-yl)methyl]pyrazol-4-amine?
1-(2-methoxyethyl)-N-[(5-methylthiophen-2-yl)methyl]pyrazol-4-amine has a molecular weight of 251.35 g/mol, XLogP of 2.51, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxyethyl)-N-[(5-methylthiophen-2-yl)methyl]pyrazol-4-amine is sourced from PubChem (CID 43728887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).