3-(3-methoxyphenyl)-1-methyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]pyrazol-5-amine

C16H18N4OS — CID 75435607

IUPAC3-(3-methoxyphenyl)-1-methyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]pyrazol-5-amine
SMILESCOc1cccc(-c2cc(NCc3nc(C)cs3)n(C)n2)c1
InChIInChI=1S/C16H18N4OS/c1-11-10-22-16(18-11)9-17-15-8-14(19-20(15)2)12-5-4-6-13(7-12)21-3/h4-8,10,17H,9H2,1-3H3
InChIKeyQWPGORGYIFJVLS-UHFFFAOYSA-N
MW314.41 g/mol
LogP3.47
Rot. Bonds5

About 3-(3-methoxyphenyl)-1-methyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]pyrazol-5-amine

3-(3-methoxyphenyl)-1-methyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]pyrazol-5-amine (PubChem CID 75435607) has the molecular formula C16H18N4OS and a molecular weight of 314.41 g/mol. Its IUPAC name is 3-(3-methoxyphenyl)-1-methyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]pyrazol-5-amine.

Molecular Properties

Compound Name3-(3-methoxyphenyl)-1-methyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]pyrazol-5-amine
PubChem CID75435607
Molecular FormulaC16H18N4OS
Molecular Weight314.41 g/mol
Exact Mass314.12
IUPAC Name3-(3-methoxyphenyl)-1-methyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]pyrazol-5-amine
SMILESCOc1cccc(-c2cc(NCc3nc(C)cs3)n(C)n2)c1
InChIInChI=1S/C16H18N4OS/c1-11-10-22-16(18-11)9-17-15-8-14(19-20(15)2)12-5-4-6-13(7-12)21-3/h4-8,10,17H,9H2,1-3H3
InChIKeyQWPGORGYIFJVLS-UHFFFAOYSA-N
XLogP3.47
TPSA51.97 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.41
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-(3-methoxyphenyl)-1-methyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]pyrazol-5-amine?
The IUPAC name of 3-(3-methoxyphenyl)-1-methyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]pyrazol-5-amine (CID 75435607) is 3-(3-methoxyphenyl)-1-methyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]pyrazol-5-amine.
What is the SMILES notation for 3-(3-methoxyphenyl)-1-methyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]pyrazol-5-amine?
The canonical SMILES for 3-(3-methoxyphenyl)-1-methyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]pyrazol-5-amine is COc1cccc(-c2cc(NCc3nc(C)cs3)n(C)n2)c1.
What is the InChIKey of 3-(3-methoxyphenyl)-1-methyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]pyrazol-5-amine?
The InChIKey is QWPGORGYIFJVLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N4OS/c1-11-10-22-16(18-11)9-17-15-8-14(19-20(15)2)12-5-4-6-13(7-12)21-3/h4-8,10,17H,9H2,1-3H3.
What are the key properties of 3-(3-methoxyphenyl)-1-methyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]pyrazol-5-amine?
3-(3-methoxyphenyl)-1-methyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]pyrazol-5-amine has a molecular weight of 314.41 g/mol, XLogP of 3.47, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-methoxyphenyl)-1-methyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]pyrazol-5-amine is sourced from PubChem (CID 75435607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).