1-(5-chloro-3-ethyl-1-methylpyrazol-4-yl)-N-methyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]methanamine

C13H19ClN4S — CID 77091409

IUPAC1-(5-chloro-3-ethyl-1-methylpyrazol-4-yl)-N-methyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]methanamine
SMILESCCc1nn(C)c(Cl)c1CN(C)Cc1nc(C)cs1
InChIInChI=1S/C13H19ClN4S/c1-5-11-10(13(14)18(4)16-11)6-17(3)7-12-15-9(2)8-19-12/h8H,5-7H2,1-4H3
InChIKeyPIABRDJRFIAWER-UHFFFAOYSA-N
MW298.84 g/mol
LogP3.03
Rot. Bonds5

About 1-(5-chloro-3-ethyl-1-methylpyrazol-4-yl)-N-methyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]methanamine

1-(5-chloro-3-ethyl-1-methylpyrazol-4-yl)-N-methyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]methanamine (PubChem CID 77091409) has the molecular formula C13H19ClN4S and a molecular weight of 298.84 g/mol. Its IUPAC name is 1-(5-chloro-3-ethyl-1-methylpyrazol-4-yl)-N-methyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]methanamine.

Molecular Properties

Compound Name1-(5-chloro-3-ethyl-1-methylpyrazol-4-yl)-N-methyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]methanamine
PubChem CID77091409
Molecular FormulaC13H19ClN4S
Molecular Weight298.84 g/mol
Exact Mass298.10
IUPAC Name1-(5-chloro-3-ethyl-1-methylpyrazol-4-yl)-N-methyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]methanamine
SMILESCCc1nn(C)c(Cl)c1CN(C)Cc1nc(C)cs1
InChIInChI=1S/C13H19ClN4S/c1-5-11-10(13(14)18(4)16-11)6-17(3)7-12-15-9(2)8-19-12/h8H,5-7H2,1-4H3
InChIKeyPIABRDJRFIAWER-UHFFFAOYSA-N
XLogP3.03
TPSA33.95 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.84
LogP ≤ 53.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(5-chloro-3-ethyl-1-methylpyrazol-4-yl)-N-methyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]methanamine?
The IUPAC name of 1-(5-chloro-3-ethyl-1-methylpyrazol-4-yl)-N-methyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]methanamine (CID 77091409) is 1-(5-chloro-3-ethyl-1-methylpyrazol-4-yl)-N-methyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]methanamine.
What is the SMILES notation for 1-(5-chloro-3-ethyl-1-methylpyrazol-4-yl)-N-methyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]methanamine?
The canonical SMILES for 1-(5-chloro-3-ethyl-1-methylpyrazol-4-yl)-N-methyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]methanamine is CCc1nn(C)c(Cl)c1CN(C)Cc1nc(C)cs1.
What is the InChIKey of 1-(5-chloro-3-ethyl-1-methylpyrazol-4-yl)-N-methyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]methanamine?
The InChIKey is PIABRDJRFIAWER-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19ClN4S/c1-5-11-10(13(14)18(4)16-11)6-17(3)7-12-15-9(2)8-19-12/h8H,5-7H2,1-4H3.
What are the key properties of 1-(5-chloro-3-ethyl-1-methylpyrazol-4-yl)-N-methyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]methanamine?
1-(5-chloro-3-ethyl-1-methylpyrazol-4-yl)-N-methyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]methanamine has a molecular weight of 298.84 g/mol, XLogP of 3.03, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-chloro-3-ethyl-1-methylpyrazol-4-yl)-N-methyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]methanamine is sourced from PubChem (CID 77091409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).