1-methyl-3-propyl-5-(thiophen-2-ylmethoxy)pyrazol-4-amine

C12H17N3OS — CID 66019505

IUPAC1-methyl-3-propyl-5-(thiophen-2-ylmethoxy)pyrazol-4-amine
SMILESCCCc1nn(C)c(OCc2cccs2)c1N
InChIInChI=1S/C12H17N3OS/c1-3-5-10-11(13)12(15(2)14-10)16-8-9-6-4-7-17-9/h4,6-7H,3,5,8,13H2,1-2H3
InChIKeyIJKDFRKRMICIDB-UHFFFAOYSA-N
MW251.35 g/mol
LogP2.60
Rot. Bonds5

About 1-methyl-3-propyl-5-(thiophen-2-ylmethoxy)pyrazol-4-amine

1-methyl-3-propyl-5-(thiophen-2-ylmethoxy)pyrazol-4-amine (PubChem CID 66019505) has the molecular formula C12H17N3OS and a molecular weight of 251.35 g/mol. Its IUPAC name is 1-methyl-3-propyl-5-(thiophen-2-ylmethoxy)pyrazol-4-amine.

Molecular Properties

Compound Name1-methyl-3-propyl-5-(thiophen-2-ylmethoxy)pyrazol-4-amine
PubChem CID66019505
Molecular FormulaC12H17N3OS
Molecular Weight251.35 g/mol
Exact Mass251.11
IUPAC Name1-methyl-3-propyl-5-(thiophen-2-ylmethoxy)pyrazol-4-amine
SMILESCCCc1nn(C)c(OCc2cccs2)c1N
InChIInChI=1S/C12H17N3OS/c1-3-5-10-11(13)12(15(2)14-10)16-8-9-6-4-7-17-9/h4,6-7H,3,5,8,13H2,1-2H3
InChIKeyIJKDFRKRMICIDB-UHFFFAOYSA-N
XLogP2.60
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.35
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-ethyl-1-methyl-5-(2-thiophen-2-ylethoxy)pyrazol-4-amine
CID 66016072
2-propyl-6-(thiophen-2-ylmethoxy)pyrimidin-4-amine
CID 80949557
1-methyl-3-propyl-6-(1-thiophen-2-ylpropan-2-yl)imidazo[4,5-d]pyrazol-5-amine
CID 79282138
5-[2-(2-methoxyethoxy)ethoxy]-1-methyl-3-propylpyrazol-4-amine
CID 104559958
5-cyclohexyloxy-1-methyl-3-propylpyrazol-4-amine
CID 66018723
5-(2,5-difluorophenoxy)-1-methyl-3-propylpyrazol-4-amine
CID 66017374
2-(4-amino-1-methyl-3-propylpyrazol-5-yl)oxybenzamide
CID 66017755
[4-(4-amino-1-methyl-3-propylpyrazol-5-yl)oxyphenyl]methanol
CID 66019121
1-methyl-3-propyl-6-(1-thiophen-2-ylpropan-2-yl)-4H-imidazo[4,5-d]pyrazole-5-thione
CID 79282687
5-methyl-6-(thiophen-2-ylmethoxy)pyridin-3-amine
CID 62475410
3-propoxy-5-(thiophen-2-ylmethoxy)aniline
CID 80747853
2-propyl-6-(2-thiophen-2-ylethoxy)pyrimidin-4-amine
CID 80949925

Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-propyl-5-(thiophen-2-ylmethoxy)pyrazol-4-amine?
The IUPAC name of 1-methyl-3-propyl-5-(thiophen-2-ylmethoxy)pyrazol-4-amine (CID 66019505) is 1-methyl-3-propyl-5-(thiophen-2-ylmethoxy)pyrazol-4-amine.
What is the SMILES notation for 1-methyl-3-propyl-5-(thiophen-2-ylmethoxy)pyrazol-4-amine?
The canonical SMILES for 1-methyl-3-propyl-5-(thiophen-2-ylmethoxy)pyrazol-4-amine is CCCc1nn(C)c(OCc2cccs2)c1N.
What is the InChIKey of 1-methyl-3-propyl-5-(thiophen-2-ylmethoxy)pyrazol-4-amine?
The InChIKey is IJKDFRKRMICIDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3OS/c1-3-5-10-11(13)12(15(2)14-10)16-8-9-6-4-7-17-9/h4,6-7H,3,5,8,13H2,1-2H3.
What are the key properties of 1-methyl-3-propyl-5-(thiophen-2-ylmethoxy)pyrazol-4-amine?
1-methyl-3-propyl-5-(thiophen-2-ylmethoxy)pyrazol-4-amine has a molecular weight of 251.35 g/mol, XLogP of 2.60, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-propyl-5-(thiophen-2-ylmethoxy)pyrazol-4-amine is sourced from PubChem (CID 66019505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).