1-(3,5-dimethylpyrazol-1-yl)-N-[(4-ethyl-2-methyl-1,3-thiazol-5-yl)methyl]propan-2-amine

C15H24N4S — CID 56707302

IUPAC1-(3,5-dimethylpyrazol-1-yl)-N-[(4-ethyl-2-methyl-1,3-thiazol-5-yl)methyl]propan-2-amine
SMILESCCc1nc(C)sc1CNC(C)Cn1nc(C)cc1C
InChIInChI=1S/C15H24N4S/c1-6-14-15(20-13(5)17-14)8-16-11(3)9-19-12(4)7-10(2)18-19/h7,11,16H,6,8-9H2,1-5H3
InChIKeyQUTMONNEYCJTLF-UHFFFAOYSA-N
MW292.45 g/mol
LogP3.01
Rot. Bonds6

About 1-(3,5-dimethylpyrazol-1-yl)-N-[(4-ethyl-2-methyl-1,3-thiazol-5-yl)methyl]propan-2-amine

1-(3,5-dimethylpyrazol-1-yl)-N-[(4-ethyl-2-methyl-1,3-thiazol-5-yl)methyl]propan-2-amine (PubChem CID 56707302) has the molecular formula C15H24N4S and a molecular weight of 292.45 g/mol. Its IUPAC name is 1-(3,5-dimethylpyrazol-1-yl)-N-[(4-ethyl-2-methyl-1,3-thiazol-5-yl)methyl]propan-2-amine.

Molecular Properties

Compound Name1-(3,5-dimethylpyrazol-1-yl)-N-[(4-ethyl-2-methyl-1,3-thiazol-5-yl)methyl]propan-2-amine
PubChem CID56707302
Molecular FormulaC15H24N4S
Molecular Weight292.45 g/mol
Exact Mass292.17
IUPAC Name1-(3,5-dimethylpyrazol-1-yl)-N-[(4-ethyl-2-methyl-1,3-thiazol-5-yl)methyl]propan-2-amine
SMILESCCc1nc(C)sc1CNC(C)Cn1nc(C)cc1C
InChIInChI=1S/C15H24N4S/c1-6-14-15(20-13(5)17-14)8-16-11(3)9-19-12(4)7-10(2)18-19/h7,11,16H,6,8-9H2,1-5H3
InChIKeyQUTMONNEYCJTLF-UHFFFAOYSA-N
XLogP3.01
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.45
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[3-(3,5-Dimethylpyrazol-1-yl)-2-methylpropyl]-3-[(4-methyl-1,3-thiazol-2-yl)methyl]urea
CID 45827587
1-[3-(3,5-Dimethylpyrazol-1-yl)-2-methylpropyl]-3-[(2-methyl-1,3-thiazol-4-yl)methyl]urea
CID 51084055
4-[[2-[(3,5-Dimethylpyrazol-1-yl)methyl]pyrrolidin-1-yl]methyl]-1,3-thiazole
CID 53626925
4-[[2-[(3,5-Dimethylpyrazol-1-yl)methyl]piperidin-1-yl]methyl]-1,3-thiazole
CID 56780360
2-({4-[(2-Methyl-1,3-thiazol-4-yl)methyl]-1-piperazinyl}methyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine dihydrochloride
CID 56885364
2-(3,5-dimethylpyrazol-1-yl)-N-[(4-methyl-1,3-thiazol-2-yl)methyl]acetamide
CID 45804051
3,5-dimethyl-1-propan-2-yl-N-(1,3-thiazol-4-ylmethyl)pyrazol-4-amine
CID 71938465
2-Cyclohexyl-4-[(3,5-dimethylpyrazol-1-yl)methyl]-1,3-thiazole
CID 91643237
2-(3,5-dimethyl-1H-pyrazol-1-yl)-N-methyl-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]ethanamine
CID 91839440
(1S)-N-[(1,5-dimethylpyrazol-4-yl)methyl]-1-(4-methyl-2-propan-2-yl-1,3-thiazol-5-yl)ethanamine
CID 97108451
1-[(2,5-Dimethylpyrazol-3-yl)methyl]-3-[2-(5-methyl-1,3-thiazol-2-yl)ethyl]urea
CID 121527433
(1S)-1-(5,6-dihydro-4H-pyrrolo[2,1-e]pyrazol-2-yl)-N-[(4-methyl-1,3-thiazol-5-yl)methyl]ethanamine
CID 129559552

Frequently Asked Questions

What is the IUPAC name of 1-(3,5-dimethylpyrazol-1-yl)-N-[(4-ethyl-2-methyl-1,3-thiazol-5-yl)methyl]propan-2-amine?
The IUPAC name of 1-(3,5-dimethylpyrazol-1-yl)-N-[(4-ethyl-2-methyl-1,3-thiazol-5-yl)methyl]propan-2-amine (CID 56707302) is 1-(3,5-dimethylpyrazol-1-yl)-N-[(4-ethyl-2-methyl-1,3-thiazol-5-yl)methyl]propan-2-amine.
What is the SMILES notation for 1-(3,5-dimethylpyrazol-1-yl)-N-[(4-ethyl-2-methyl-1,3-thiazol-5-yl)methyl]propan-2-amine?
The canonical SMILES for 1-(3,5-dimethylpyrazol-1-yl)-N-[(4-ethyl-2-methyl-1,3-thiazol-5-yl)methyl]propan-2-amine is CCc1nc(C)sc1CNC(C)Cn1nc(C)cc1C.
What is the InChIKey of 1-(3,5-dimethylpyrazol-1-yl)-N-[(4-ethyl-2-methyl-1,3-thiazol-5-yl)methyl]propan-2-amine?
The InChIKey is QUTMONNEYCJTLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N4S/c1-6-14-15(20-13(5)17-14)8-16-11(3)9-19-12(4)7-10(2)18-19/h7,11,16H,6,8-9H2,1-5H3.
What are the key properties of 1-(3,5-dimethylpyrazol-1-yl)-N-[(4-ethyl-2-methyl-1,3-thiazol-5-yl)methyl]propan-2-amine?
1-(3,5-dimethylpyrazol-1-yl)-N-[(4-ethyl-2-methyl-1,3-thiazol-5-yl)methyl]propan-2-amine has a molecular weight of 292.45 g/mol, XLogP of 3.01, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,5-dimethylpyrazol-1-yl)-N-[(4-ethyl-2-methyl-1,3-thiazol-5-yl)methyl]propan-2-amine is sourced from PubChem (CID 56707302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).