[5-[(4-chloro-3,5-dimethylpyrazol-1-yl)methyl]thiophen-2-yl]methanamine

C11H14ClN3S — CID 107557705

IUPAC[5-[(4-chloro-3,5-dimethylpyrazol-1-yl)methyl]thiophen-2-yl]methanamine
SMILESCc1nn(Cc2ccc(CN)s2)c(C)c1Cl
InChIInChI=1S/C11H14ClN3S/c1-7-11(12)8(2)15(14-7)6-10-4-3-9(5-13)16-10/h3-4H,5-6,13H2,1-2H3
InChIKeyAUVFGMZOQRHWME-UHFFFAOYSA-N
MW255.77 g/mol
LogP2.72
Rot. Bonds3

About [5-[(4-chloro-3,5-dimethylpyrazol-1-yl)methyl]thiophen-2-yl]methanamine

[5-[(4-chloro-3,5-dimethylpyrazol-1-yl)methyl]thiophen-2-yl]methanamine (PubChem CID 107557705) has the molecular formula C11H14ClN3S and a molecular weight of 255.77 g/mol. Its IUPAC name is [5-[(4-chloro-3,5-dimethylpyrazol-1-yl)methyl]thiophen-2-yl]methanamine.

Molecular Properties

Compound Name[5-[(4-chloro-3,5-dimethylpyrazol-1-yl)methyl]thiophen-2-yl]methanamine
PubChem CID107557705
Molecular FormulaC11H14ClN3S
Molecular Weight255.77 g/mol
Exact Mass255.06
IUPAC Name[5-[(4-chloro-3,5-dimethylpyrazol-1-yl)methyl]thiophen-2-yl]methanamine
SMILESCc1nn(Cc2ccc(CN)s2)c(C)c1Cl
InChIInChI=1S/C11H14ClN3S/c1-7-11(12)8(2)15(14-7)6-10-4-3-9(5-13)16-10/h3-4H,5-6,13H2,1-2H3
InChIKeyAUVFGMZOQRHWME-UHFFFAOYSA-N
XLogP2.72
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.77
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[5-[(4-chloro-3,5-dimethylpyrazol-1-yl)methyl]thiophen-2-yl]methyl]-2-methylpropan-1-amine
CID 107557706
2-[(4-chloro-3,5-dimethylpyrazol-1-yl)methyl]pyridin-4-amine
CID 79251384
3-chloro-2-[(4-chloro-3,5-dimethylpyrazol-1-yl)methyl]aniline
CID 55241676
[4-[(4-chloro-3,5-dimethylpyrazol-1-yl)methyl]phenyl]boronic acid
CID 55038605
2-bromo-3-[(4-chloro-3,5-dimethylpyrazol-1-yl)methyl]aniline
CID 114048553
2-bromo-5-[(4-chloro-3,5-dimethylpyrazol-1-yl)methyl]aniline
CID 115557341
3-bromo-4-[(4-chloro-3,5-dimethylpyrazol-1-yl)methyl]aniline
CID 62130009
N-[[1-[(5-chlorothiophen-2-yl)methyl]-3,5-dimethylpyrazol-4-yl]methyl]propan-2-amine
CID 43647937
[2-[(4-chloro-3,5-dimethylpyrazol-1-yl)methyl]phenyl]boronic acid
CID 62129875
2-[(4-chloro-3,5-dimethylpyrazol-1-yl)methyl]-1,3-benzoxazol-5-amine
CID 79964659
5-[(4-chloro-3,5-dimethylpyrazol-1-yl)methyl]-N-propylpyrazin-2-amine
CID 103057201
N-[[5-[(4-bromo-3,5-dimethylpyrazol-1-yl)methyl]thiophen-2-yl]methyl]-2-methylpropan-2-amine
CID 107557701

Frequently Asked Questions

What is the IUPAC name of [5-[(4-chloro-3,5-dimethylpyrazol-1-yl)methyl]thiophen-2-yl]methanamine?
The IUPAC name of [5-[(4-chloro-3,5-dimethylpyrazol-1-yl)methyl]thiophen-2-yl]methanamine (CID 107557705) is [5-[(4-chloro-3,5-dimethylpyrazol-1-yl)methyl]thiophen-2-yl]methanamine.
What is the SMILES notation for [5-[(4-chloro-3,5-dimethylpyrazol-1-yl)methyl]thiophen-2-yl]methanamine?
The canonical SMILES for [5-[(4-chloro-3,5-dimethylpyrazol-1-yl)methyl]thiophen-2-yl]methanamine is Cc1nn(Cc2ccc(CN)s2)c(C)c1Cl.
What is the InChIKey of [5-[(4-chloro-3,5-dimethylpyrazol-1-yl)methyl]thiophen-2-yl]methanamine?
The InChIKey is AUVFGMZOQRHWME-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14ClN3S/c1-7-11(12)8(2)15(14-7)6-10-4-3-9(5-13)16-10/h3-4H,5-6,13H2,1-2H3.
What are the key properties of [5-[(4-chloro-3,5-dimethylpyrazol-1-yl)methyl]thiophen-2-yl]methanamine?
[5-[(4-chloro-3,5-dimethylpyrazol-1-yl)methyl]thiophen-2-yl]methanamine has a molecular weight of 255.77 g/mol, XLogP of 2.72, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [5-[(4-chloro-3,5-dimethylpyrazol-1-yl)methyl]thiophen-2-yl]methanamine is sourced from PubChem (CID 107557705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).