[3,5-dimethyl-1-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrazol-4-yl]methanamine

C11H16N4S — CID 43647514

IUPAC[3,5-dimethyl-1-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrazol-4-yl]methanamine
SMILESCc1nc(Cn2nc(C)c(CN)c2C)cs1
InChIInChI=1S/C11H16N4S/c1-7-11(4-12)8(2)15(14-7)5-10-6-16-9(3)13-10/h6H,4-5,12H2,1-3H3
InChIKeyBJXAZZRJRAZGQS-UHFFFAOYSA-N
MW236.34 g/mol
LogP1.77
Rot. Bonds3

About [3,5-dimethyl-1-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrazol-4-yl]methanamine

[3,5-dimethyl-1-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrazol-4-yl]methanamine (PubChem CID 43647514) has the molecular formula C11H16N4S and a molecular weight of 236.34 g/mol. Its IUPAC name is [3,5-dimethyl-1-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrazol-4-yl]methanamine.

Molecular Properties

Compound Name[3,5-dimethyl-1-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrazol-4-yl]methanamine
PubChem CID43647514
Molecular FormulaC11H16N4S
Molecular Weight236.34 g/mol
Exact Mass236.11
IUPAC Name[3,5-dimethyl-1-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrazol-4-yl]methanamine
SMILESCc1nc(Cn2nc(C)c(CN)c2C)cs1
InChIInChI=1S/C11H16N4S/c1-7-11(4-12)8(2)15(14-7)5-10-6-16-9(3)13-10/h6H,4-5,12H2,1-3H3
InChIKeyBJXAZZRJRAZGQS-UHFFFAOYSA-N
XLogP1.77
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.34
LogP ≤ 51.77
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
N-[2-(4-ethyl-3,5-dimethyl-1H-pyrazol-1-yl)ethyl]-2-methyl-1,3-thiazole-4-carboxamide
CID 50973597
N-[2-(4-ethyl-3,5-dimethyl-1H-pyrazol-1-yl)ethyl]-2-(2-methyl-1,3-thiazol-4-yl)acetamide
CID 50974363
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
N-[(2-cyclopropyl-1,3-thiazol-4-yl)methyl]-1-ethyl-3,5-dimethylpyrazole-4-carboxamide
CID 75358483
2-[(4-Bromo-3,5-dimethylpyrazol-1-yl)methyl]-4-tert-butyl-1,3-thiazole
CID 2820323
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-[3,5-Dimethyl-1-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrazol-4-yl]ethanol
CID 75522116
1-(5-chloro-3-ethyl-1-methyl-1H-pyrazol-4-yl)-N-methyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]methanamine
CID 77091409
N-methyl-1-(5-methyl-1-propyl-1H-pyrazol-4-yl)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]methanamine
CID 77096062

Frequently Asked Questions

What is the IUPAC name of [3,5-dimethyl-1-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrazol-4-yl]methanamine?
The IUPAC name of [3,5-dimethyl-1-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrazol-4-yl]methanamine (CID 43647514) is [3,5-dimethyl-1-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrazol-4-yl]methanamine.
What is the SMILES notation for [3,5-dimethyl-1-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrazol-4-yl]methanamine?
The canonical SMILES for [3,5-dimethyl-1-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrazol-4-yl]methanamine is Cc1nc(Cn2nc(C)c(CN)c2C)cs1.
What is the InChIKey of [3,5-dimethyl-1-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrazol-4-yl]methanamine?
The InChIKey is BJXAZZRJRAZGQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N4S/c1-7-11(4-12)8(2)15(14-7)5-10-6-16-9(3)13-10/h6H,4-5,12H2,1-3H3.
What are the key properties of [3,5-dimethyl-1-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrazol-4-yl]methanamine?
[3,5-dimethyl-1-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrazol-4-yl]methanamine has a molecular weight of 236.34 g/mol, XLogP of 1.77, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3,5-dimethyl-1-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrazol-4-yl]methanamine is sourced from PubChem (CID 43647514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).