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

C12H18N4S — CID 112549507

IUPAC1-(3-ethyl-1-methylpyrazol-4-yl)-N-[(4-methyl-1,3-thiazol-5-yl)methyl]methanamine
SMILESCCc1nn(C)cc1CNCc1scnc1C
InChIInChI=1S/C12H18N4S/c1-4-11-10(7-16(3)15-11)5-13-6-12-9(2)14-8-17-12/h7-8,13H,4-6H2,1-3H3
InChIKeyCLNIMPCBGNJQKP-UHFFFAOYSA-N
MW250.37 g/mol
LogP2.04
Rot. Bonds5

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

1-(3-ethyl-1-methylpyrazol-4-yl)-N-[(4-methyl-1,3-thiazol-5-yl)methyl]methanamine (PubChem CID 112549507) has the molecular formula C12H18N4S and a molecular weight of 250.37 g/mol. Its IUPAC name is 1-(3-ethyl-1-methylpyrazol-4-yl)-N-[(4-methyl-1,3-thiazol-5-yl)methyl]methanamine.

Molecular Properties

Compound Name1-(3-ethyl-1-methylpyrazol-4-yl)-N-[(4-methyl-1,3-thiazol-5-yl)methyl]methanamine
PubChem CID112549507
Molecular FormulaC12H18N4S
Molecular Weight250.37 g/mol
Exact Mass250.13
IUPAC Name1-(3-ethyl-1-methylpyrazol-4-yl)-N-[(4-methyl-1,3-thiazol-5-yl)methyl]methanamine
SMILESCCc1nn(C)cc1CNCc1scnc1C
InChIInChI=1S/C12H18N4S/c1-4-11-10(7-16(3)15-11)5-13-6-12-9(2)14-8-17-12/h7-8,13H,4-6H2,1-3H3
InChIKeyCLNIMPCBGNJQKP-UHFFFAOYSA-N
XLogP2.04
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.37
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-1-(3-ethyl-1-methylpyrazol-4-yl)methanamine
CID 112549603
1-(2,3-dimethylphenyl)-N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]methanamine
CID 112550132
1-(1-ethyl-2,5-dimethylpyrrol-3-yl)-N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]methanamine
CID 115989281
N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-1,3-benzothiazol-6-amine
CID 103894044
4-[[(3-ethyl-1-methylpyrazol-4-yl)methylamino]methyl]-3H-1,3-thiazol-2-one
CID 114181229
N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-1-(4-iodophenyl)methanamine
CID 112668872
N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-1-(4-fluorophenyl)methanamine
CID 112549095
1-(3-ethyl-1-methylpyrazol-4-yl)-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]methanamine
CID 103096743
2-[[(3-ethyl-1-methylpyrazol-4-yl)methylamino]methyl]-4-methylphenol
CID 112550131
N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-2-(4-methyl-1,3-thiazol-2-yl)ethanamine
CID 112549267
N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]formamide
CID 112672097
N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-3-methylbutan-1-amine
CID 112549127

Frequently Asked Questions

What is the IUPAC name of 1-(3-ethyl-1-methylpyrazol-4-yl)-N-[(4-methyl-1,3-thiazol-5-yl)methyl]methanamine?
The IUPAC name of 1-(3-ethyl-1-methylpyrazol-4-yl)-N-[(4-methyl-1,3-thiazol-5-yl)methyl]methanamine (CID 112549507) is 1-(3-ethyl-1-methylpyrazol-4-yl)-N-[(4-methyl-1,3-thiazol-5-yl)methyl]methanamine.
What is the SMILES notation for 1-(3-ethyl-1-methylpyrazol-4-yl)-N-[(4-methyl-1,3-thiazol-5-yl)methyl]methanamine?
The canonical SMILES for 1-(3-ethyl-1-methylpyrazol-4-yl)-N-[(4-methyl-1,3-thiazol-5-yl)methyl]methanamine is CCc1nn(C)cc1CNCc1scnc1C.
What is the InChIKey of 1-(3-ethyl-1-methylpyrazol-4-yl)-N-[(4-methyl-1,3-thiazol-5-yl)methyl]methanamine?
The InChIKey is CLNIMPCBGNJQKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4S/c1-4-11-10(7-16(3)15-11)5-13-6-12-9(2)14-8-17-12/h7-8,13H,4-6H2,1-3H3.
What are the key properties of 1-(3-ethyl-1-methylpyrazol-4-yl)-N-[(4-methyl-1,3-thiazol-5-yl)methyl]methanamine?
1-(3-ethyl-1-methylpyrazol-4-yl)-N-[(4-methyl-1,3-thiazol-5-yl)methyl]methanamine has a molecular weight of 250.37 g/mol, XLogP of 2.04, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-ethyl-1-methylpyrazol-4-yl)-N-[(4-methyl-1,3-thiazol-5-yl)methyl]methanamine is sourced from PubChem (CID 112549507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).