1-(4-methoxy-1-propan-2-ylpyrazol-5-yl)-N-methyl-1-(2-methyl-1,3-thiazol-4-yl)methanamine

C13H20N4OS — CID 105186767

IUPAC1-(4-methoxy-1-propan-2-ylpyrazol-5-yl)-N-methyl-1-(2-methyl-1,3-thiazol-4-yl)methanamine
SMILESCNC(c1csc(C)n1)c1c(OC)cnn1C(C)C
InChIInChI=1S/C13H20N4OS/c1-8(2)17-13(11(18-5)6-15-17)12(14-4)10-7-19-9(3)16-10/h6-8,12,14H,1-5H3
InChIKeyHARKGXLXBVVQFD-UHFFFAOYSA-N
MW280.40 g/mol
LogP2.55
Rot. Bonds5

About 1-(4-methoxy-1-propan-2-ylpyrazol-5-yl)-N-methyl-1-(2-methyl-1,3-thiazol-4-yl)methanamine

1-(4-methoxy-1-propan-2-ylpyrazol-5-yl)-N-methyl-1-(2-methyl-1,3-thiazol-4-yl)methanamine (PubChem CID 105186767) has the molecular formula C13H20N4OS and a molecular weight of 280.40 g/mol. Its IUPAC name is 1-(4-methoxy-1-propan-2-ylpyrazol-5-yl)-N-methyl-1-(2-methyl-1,3-thiazol-4-yl)methanamine.

Molecular Properties

Compound Name1-(4-methoxy-1-propan-2-ylpyrazol-5-yl)-N-methyl-1-(2-methyl-1,3-thiazol-4-yl)methanamine
PubChem CID105186767
Molecular FormulaC13H20N4OS
Molecular Weight280.40 g/mol
Exact Mass280.14
IUPAC Name1-(4-methoxy-1-propan-2-ylpyrazol-5-yl)-N-methyl-1-(2-methyl-1,3-thiazol-4-yl)methanamine
SMILESCNC(c1csc(C)n1)c1c(OC)cnn1C(C)C
InChIInChI=1S/C13H20N4OS/c1-8(2)17-13(11(18-5)6-15-17)12(14-4)10-7-19-9(3)16-10/h6-8,12,14H,1-5H3
InChIKeyHARKGXLXBVVQFD-UHFFFAOYSA-N
XLogP2.55
TPSA51.97 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.40
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-(4-methoxy-1-propan-2-ylpyrazol-5-yl)-N-methyl-1-(4-methylthiophen-3-yl)methanamine
CID 114658402
1-(3-chloro-4-methylthiophen-2-yl)-1-(4-methoxy-1-propan-2-ylpyrazol-5-yl)-N-methylmethanamine
CID 103407509
1-(4-methoxy-1-propan-2-ylpyrazol-5-yl)-N-methyl-1-pyrimidin-5-ylmethanamine
CID 102923906
1-(4-methoxy-1-propan-2-ylpyrazol-5-yl)-N-methyl-1-pyrazin-2-ylmethanamine
CID 114648075
1-(5-fluoro-2-pyridinyl)-1-(4-methoxy-1-propan-2-ylpyrazol-5-yl)-N-methylmethanamine
CID 114657923
N-ethyl-1-(4-methoxy-1-propan-2-ylpyrazol-5-yl)-2-(2-methyl-1,3-thiazol-4-yl)ethanamine
CID 114650023
1-(4-methoxy-1-propan-2-ylpyrazol-5-yl)-N-methyl-1-(1-methylpyrazol-4-yl)methanamine
CID 114654399
1-(3,6-dimethylpyridazin-4-yl)-1-(4-methoxy-1-propan-2-ylpyrazol-5-yl)-N-methylmethanamine
CID 105186805
N-[(4-methoxy-1-propylpyrazol-5-yl)-(2-methyl-1,3-thiazol-4-yl)methyl]ethanamine
CID 105187101
1-(4-ethylthiadiazol-5-yl)-1-(4-methoxy-1-propan-2-ylpyrazol-5-yl)-N-methylmethanamine
CID 105186785
2,2-difluoro-1-(4-methoxy-1-propan-2-ylpyrazol-5-yl)-N-methylethanamine
CID 103517190
1-(2-bromofuran-3-yl)-1-(4-methoxy-1-propan-2-ylpyrazol-5-yl)-N-methylmethanamine
CID 106858742

Frequently Asked Questions

What is the IUPAC name of 1-(4-methoxy-1-propan-2-ylpyrazol-5-yl)-N-methyl-1-(2-methyl-1,3-thiazol-4-yl)methanamine?
The IUPAC name of 1-(4-methoxy-1-propan-2-ylpyrazol-5-yl)-N-methyl-1-(2-methyl-1,3-thiazol-4-yl)methanamine (CID 105186767) is 1-(4-methoxy-1-propan-2-ylpyrazol-5-yl)-N-methyl-1-(2-methyl-1,3-thiazol-4-yl)methanamine.
What is the SMILES notation for 1-(4-methoxy-1-propan-2-ylpyrazol-5-yl)-N-methyl-1-(2-methyl-1,3-thiazol-4-yl)methanamine?
The canonical SMILES for 1-(4-methoxy-1-propan-2-ylpyrazol-5-yl)-N-methyl-1-(2-methyl-1,3-thiazol-4-yl)methanamine is CNC(c1csc(C)n1)c1c(OC)cnn1C(C)C.
What is the InChIKey of 1-(4-methoxy-1-propan-2-ylpyrazol-5-yl)-N-methyl-1-(2-methyl-1,3-thiazol-4-yl)methanamine?
The InChIKey is HARKGXLXBVVQFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4OS/c1-8(2)17-13(11(18-5)6-15-17)12(14-4)10-7-19-9(3)16-10/h6-8,12,14H,1-5H3.
What are the key properties of 1-(4-methoxy-1-propan-2-ylpyrazol-5-yl)-N-methyl-1-(2-methyl-1,3-thiazol-4-yl)methanamine?
1-(4-methoxy-1-propan-2-ylpyrazol-5-yl)-N-methyl-1-(2-methyl-1,3-thiazol-4-yl)methanamine has a molecular weight of 280.40 g/mol, XLogP of 2.55, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methoxy-1-propan-2-ylpyrazol-5-yl)-N-methyl-1-(2-methyl-1,3-thiazol-4-yl)methanamine is sourced from PubChem (CID 105186767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).