1-(4-methoxy-1-propylpyrazol-5-yl)-N-methyl-1-(1,2,5-thiadiazol-3-yl)methanamine

C11H17N5OS — CID 105187073

IUPAC1-(4-methoxy-1-propylpyrazol-5-yl)-N-methyl-1-(1,2,5-thiadiazol-3-yl)methanamine
SMILESCCCn1ncc(OC)c1C(NC)c1cnsn1
InChIInChI=1S/C11H17N5OS/c1-4-5-16-11(9(17-3)7-13-16)10(12-2)8-6-14-18-15-8/h6-7,10,12H,4-5H2,1-3H3
InChIKeyOSXJICGWVKMGSX-UHFFFAOYSA-N
MW267.36 g/mol
LogP1.46
Rot. Bonds6

About 1-(4-methoxy-1-propylpyrazol-5-yl)-N-methyl-1-(1,2,5-thiadiazol-3-yl)methanamine

1-(4-methoxy-1-propylpyrazol-5-yl)-N-methyl-1-(1,2,5-thiadiazol-3-yl)methanamine (PubChem CID 105187073) has the molecular formula C11H17N5OS and a molecular weight of 267.36 g/mol. Its IUPAC name is 1-(4-methoxy-1-propylpyrazol-5-yl)-N-methyl-1-(1,2,5-thiadiazol-3-yl)methanamine.

Molecular Properties

Compound Name1-(4-methoxy-1-propylpyrazol-5-yl)-N-methyl-1-(1,2,5-thiadiazol-3-yl)methanamine
PubChem CID105187073
Molecular FormulaC11H17N5OS
Molecular Weight267.36 g/mol
Exact Mass267.12
IUPAC Name1-(4-methoxy-1-propylpyrazol-5-yl)-N-methyl-1-(1,2,5-thiadiazol-3-yl)methanamine
SMILESCCCn1ncc(OC)c1C(NC)c1cnsn1
InChIInChI=1S/C11H17N5OS/c1-4-5-16-11(9(17-3)7-13-16)10(12-2)8-6-14-18-15-8/h6-7,10,12H,4-5H2,1-3H3
InChIKeyOSXJICGWVKMGSX-UHFFFAOYSA-N
XLogP1.46
TPSA64.86 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.36
LogP ≤ 51.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

[(4-methoxy-1-propylpyrazol-5-yl)-(1,2,5-thiadiazol-3-yl)methyl]hydrazine
CID 105339799
(4-methoxy-1-propylpyrazol-5-yl)-(1,2,5-thiadiazol-3-yl)methanol
CID 105130490
[(1-ethyl-4-methoxypyrazol-5-yl)-(1,2,5-thiadiazol-3-yl)methyl]hydrazine
CID 105339368
1-(4-methoxy-1-propylpyrazol-5-yl)-N-methyl-1-(4-methyl-2-pyridinyl)methanamine
CID 114651811
1-(4-chlorophenyl)-1-(4-methoxy-1-propylpyrazol-5-yl)-N-methylmethanamine
CID 114646357
1-(4-methoxy-1-propylpyrazol-5-yl)ethylhydrazine
CID 105201289
1-(5-chlorofuran-2-yl)-1-(4-methoxy-1-propylpyrazol-5-yl)-N-methylmethanamine
CID 106693264
1-(3-bromothiophen-2-yl)-1-(4-methoxy-1-propylpyrazol-5-yl)-N-methylmethanamine
CID 105048698
1-(4-methoxy-1-propylpyrazol-5-yl)-N-methyl-1-(5-methylfuran-3-yl)methanamine
CID 105048721
1-(4-methoxy-1-propylpyrazol-5-yl)-N-methyl-1-(3-methylphenyl)methanamine
CID 114647720
1-(4-methoxy-1-propylpyrazol-5-yl)-1-(2-methoxy-3-pyridinyl)-N-methylmethanamine
CID 105187148
N-[(4-methoxy-1-propan-2-ylpyrazol-5-yl)-(1,2,5-thiadiazol-3-yl)methyl]ethanamine
CID 105186864

Frequently Asked Questions

What is the IUPAC name of 1-(4-methoxy-1-propylpyrazol-5-yl)-N-methyl-1-(1,2,5-thiadiazol-3-yl)methanamine?
The IUPAC name of 1-(4-methoxy-1-propylpyrazol-5-yl)-N-methyl-1-(1,2,5-thiadiazol-3-yl)methanamine (CID 105187073) is 1-(4-methoxy-1-propylpyrazol-5-yl)-N-methyl-1-(1,2,5-thiadiazol-3-yl)methanamine.
What is the SMILES notation for 1-(4-methoxy-1-propylpyrazol-5-yl)-N-methyl-1-(1,2,5-thiadiazol-3-yl)methanamine?
The canonical SMILES for 1-(4-methoxy-1-propylpyrazol-5-yl)-N-methyl-1-(1,2,5-thiadiazol-3-yl)methanamine is CCCn1ncc(OC)c1C(NC)c1cnsn1.
What is the InChIKey of 1-(4-methoxy-1-propylpyrazol-5-yl)-N-methyl-1-(1,2,5-thiadiazol-3-yl)methanamine?
The InChIKey is OSXJICGWVKMGSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N5OS/c1-4-5-16-11(9(17-3)7-13-16)10(12-2)8-6-14-18-15-8/h6-7,10,12H,4-5H2,1-3H3.
What are the key properties of 1-(4-methoxy-1-propylpyrazol-5-yl)-N-methyl-1-(1,2,5-thiadiazol-3-yl)methanamine?
1-(4-methoxy-1-propylpyrazol-5-yl)-N-methyl-1-(1,2,5-thiadiazol-3-yl)methanamine has a molecular weight of 267.36 g/mol, XLogP of 1.46, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methoxy-1-propylpyrazol-5-yl)-N-methyl-1-(1,2,5-thiadiazol-3-yl)methanamine is sourced from PubChem (CID 105187073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).