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

C11H14BrN3S — CID 61012711

IUPAC1-(5-bromothiophen-2-yl)-N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]methanamine
SMILESCc1n[nH]c(C)c1CNCc1ccc(Br)s1
InChIInChI=1S/C11H14BrN3S/c1-7-10(8(2)15-14-7)6-13-5-9-3-4-11(12)16-9/h3-4,13H,5-6H2,1-2H3,(H,14,15)
InChIKeyPFAZFYHLHOQGLR-UHFFFAOYSA-N
MW300.23 g/mol
LogP3.14
Rot. Bonds4

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

1-(5-bromothiophen-2-yl)-N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]methanamine (PubChem CID 61012711) has the molecular formula C11H14BrN3S and a molecular weight of 300.23 g/mol. Its IUPAC name is 1-(5-bromothiophen-2-yl)-N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]methanamine.

Molecular Properties

Compound Name1-(5-bromothiophen-2-yl)-N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]methanamine
PubChem CID61012711
Molecular FormulaC11H14BrN3S
Molecular Weight300.23 g/mol
Exact Mass299.01
IUPAC Name1-(5-bromothiophen-2-yl)-N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]methanamine
SMILESCc1n[nH]c(C)c1CNCc1ccc(Br)s1
InChIInChI=1S/C11H14BrN3S/c1-7-10(8(2)15-14-7)6-13-5-9-3-4-11(12)16-9/h3-4,13H,5-6H2,1-2H3,(H,14,15)
InChIKeyPFAZFYHLHOQGLR-UHFFFAOYSA-N
XLogP3.14
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.23
LogP ≤ 53.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(5-bromothiophen-2-yl)-N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]methanamine?
The IUPAC name of 1-(5-bromothiophen-2-yl)-N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]methanamine (CID 61012711) is 1-(5-bromothiophen-2-yl)-N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]methanamine.
What is the SMILES notation for 1-(5-bromothiophen-2-yl)-N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]methanamine?
The canonical SMILES for 1-(5-bromothiophen-2-yl)-N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]methanamine is Cc1n[nH]c(C)c1CNCc1ccc(Br)s1.
What is the InChIKey of 1-(5-bromothiophen-2-yl)-N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]methanamine?
The InChIKey is PFAZFYHLHOQGLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14BrN3S/c1-7-10(8(2)15-14-7)6-13-5-9-3-4-11(12)16-9/h3-4,13H,5-6H2,1-2H3,(H,14,15).
What are the key properties of 1-(5-bromothiophen-2-yl)-N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]methanamine?
1-(5-bromothiophen-2-yl)-N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]methanamine has a molecular weight of 300.23 g/mol, XLogP of 3.14, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-bromothiophen-2-yl)-N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]methanamine is sourced from PubChem (CID 61012711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).