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

C15H24N4OS — CID 114650023

IUPACN-ethyl-1-(4-methoxy-1-propan-2-ylpyrazol-5-yl)-2-(2-methyl-1,3-thiazol-4-yl)ethanamine
SMILESCCNC(Cc1csc(C)n1)c1c(OC)cnn1C(C)C
InChIInChI=1S/C15H24N4OS/c1-6-16-13(7-12-9-21-11(4)18-12)15-14(20-5)8-17-19(15)10(2)3/h8-10,13,16H,6-7H2,1-5H3
InChIKeyJOQLWVASZMBKHC-UHFFFAOYSA-N
MW308.45 g/mol
LogP3.13
Rot. Bonds7

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

N-ethyl-1-(4-methoxy-1-propan-2-ylpyrazol-5-yl)-2-(2-methyl-1,3-thiazol-4-yl)ethanamine (PubChem CID 114650023) has the molecular formula C15H24N4OS and a molecular weight of 308.45 g/mol. Its IUPAC name is N-ethyl-1-(4-methoxy-1-propan-2-ylpyrazol-5-yl)-2-(2-methyl-1,3-thiazol-4-yl)ethanamine.

Molecular Properties

Compound NameN-ethyl-1-(4-methoxy-1-propan-2-ylpyrazol-5-yl)-2-(2-methyl-1,3-thiazol-4-yl)ethanamine
PubChem CID114650023
Molecular FormulaC15H24N4OS
Molecular Weight308.45 g/mol
Exact Mass308.17
IUPAC NameN-ethyl-1-(4-methoxy-1-propan-2-ylpyrazol-5-yl)-2-(2-methyl-1,3-thiazol-4-yl)ethanamine
SMILESCCNC(Cc1csc(C)n1)c1c(OC)cnn1C(C)C
InChIInChI=1S/C15H24N4OS/c1-6-16-13(7-12-9-21-11(4)18-12)15-14(20-5)8-17-19(15)10(2)3/h8-10,13,16H,6-7H2,1-5H3
InChIKeyJOQLWVASZMBKHC-UHFFFAOYSA-N
XLogP3.13
TPSA51.97 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.45
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-ethyl-1-(4-methoxy-1-propan-2-ylpyrazol-5-yl)-4-methylpentan-1-amine
CID 114648733
N-ethyl-1-(4-methoxyphenyl)-2-(2-methyl-1,3-thiazol-4-yl)ethanamine
CID 55119799
1-(4-methoxy-1-propan-2-ylpyrazol-5-yl)-N-methyl-1-(2-methyl-1,3-thiazol-4-yl)methanamine
CID 105186767
N-ethyl-1-(4-methoxy-1-propan-2-ylpyrazol-5-yl)-2-propylsulfanylethanamine
CID 114653589
1-(2,3-dimethoxyphenyl)-N-ethyl-2-(2-methyl-1,3-thiazol-4-yl)ethanamine
CID 105159055
N-ethyl-1-(1-ethylpyrazol-4-yl)-2-(2-methyl-1,3-thiazol-4-yl)ethanamine
CID 62797754
N-[(4-methoxy-1-propan-2-ylpyrazol-5-yl)-(4-methoxythiophen-2-yl)methyl]ethanamine
CID 105048344
N-ethyl-2-methoxy-1-(4-methoxy-1-propan-2-ylpyrazol-5-yl)propan-1-amine
CID 114657701
N-ethyl-5-methoxy-4-methyl-1-(2-methyl-1,3-thiazol-4-yl)pentan-2-amine
CID 105159007
N-[(4-methoxy-1-propylpyrazol-5-yl)-(2-methyl-1,3-thiazol-4-yl)methyl]ethanamine
CID 105187101
2,2-diethoxy-N-ethyl-1-(4-methoxy-1-propan-2-ylpyrazol-5-yl)ethanamine
CID 114657606
N-[(4-methoxy-1-propan-2-ylpyrazol-5-yl)-(6-methyl-2-pyridinyl)methyl]ethanamine
CID 114651554

Frequently Asked Questions

What is the IUPAC name of N-ethyl-1-(4-methoxy-1-propan-2-ylpyrazol-5-yl)-2-(2-methyl-1,3-thiazol-4-yl)ethanamine?
The IUPAC name of N-ethyl-1-(4-methoxy-1-propan-2-ylpyrazol-5-yl)-2-(2-methyl-1,3-thiazol-4-yl)ethanamine (CID 114650023) is N-ethyl-1-(4-methoxy-1-propan-2-ylpyrazol-5-yl)-2-(2-methyl-1,3-thiazol-4-yl)ethanamine.
What is the SMILES notation for N-ethyl-1-(4-methoxy-1-propan-2-ylpyrazol-5-yl)-2-(2-methyl-1,3-thiazol-4-yl)ethanamine?
The canonical SMILES for N-ethyl-1-(4-methoxy-1-propan-2-ylpyrazol-5-yl)-2-(2-methyl-1,3-thiazol-4-yl)ethanamine is CCNC(Cc1csc(C)n1)c1c(OC)cnn1C(C)C.
What is the InChIKey of N-ethyl-1-(4-methoxy-1-propan-2-ylpyrazol-5-yl)-2-(2-methyl-1,3-thiazol-4-yl)ethanamine?
The InChIKey is JOQLWVASZMBKHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N4OS/c1-6-16-13(7-12-9-21-11(4)18-12)15-14(20-5)8-17-19(15)10(2)3/h8-10,13,16H,6-7H2,1-5H3.
What are the key properties of N-ethyl-1-(4-methoxy-1-propan-2-ylpyrazol-5-yl)-2-(2-methyl-1,3-thiazol-4-yl)ethanamine?
N-ethyl-1-(4-methoxy-1-propan-2-ylpyrazol-5-yl)-2-(2-methyl-1,3-thiazol-4-yl)ethanamine has a molecular weight of 308.45 g/mol, XLogP of 3.13, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1-(4-methoxy-1-propan-2-ylpyrazol-5-yl)-2-(2-methyl-1,3-thiazol-4-yl)ethanamine is sourced from PubChem (CID 114650023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).