3,5-dimethyl-N-[(5-thiophen-2-yl-1H-pyrazol-4-yl)methyl]cyclohexan-1-amine

C16H23N3S — CID 64733627

IUPAC3,5-dimethyl-N-[(5-thiophen-2-yl-1H-pyrazol-4-yl)methyl]cyclohexan-1-amine
SMILESCC1CC(C)CC(NCc2cn[nH]c2-c2cccs2)C1
InChIInChI=1S/C16H23N3S/c1-11-6-12(2)8-14(7-11)17-9-13-10-18-19-16(13)15-4-3-5-20-15/h3-5,10-12,14,17H,6-9H2,1-2H3,(H,18,19)
InChIKeyXZRJYDLMZABWSE-UHFFFAOYSA-N
MW289.45 g/mol
LogP4.05
Rot. Bonds4

About 3,5-dimethyl-N-[(5-thiophen-2-yl-1H-pyrazol-4-yl)methyl]cyclohexan-1-amine

3,5-dimethyl-N-[(5-thiophen-2-yl-1H-pyrazol-4-yl)methyl]cyclohexan-1-amine (PubChem CID 64733627) has the molecular formula C16H23N3S and a molecular weight of 289.45 g/mol. Its IUPAC name is 3,5-dimethyl-N-[(5-thiophen-2-yl-1H-pyrazol-4-yl)methyl]cyclohexan-1-amine.

Molecular Properties

Compound Name3,5-dimethyl-N-[(5-thiophen-2-yl-1H-pyrazol-4-yl)methyl]cyclohexan-1-amine
PubChem CID64733627
Molecular FormulaC16H23N3S
Molecular Weight289.45 g/mol
Exact Mass289.16
IUPAC Name3,5-dimethyl-N-[(5-thiophen-2-yl-1H-pyrazol-4-yl)methyl]cyclohexan-1-amine
SMILESCC1CC(C)CC(NCc2cn[nH]c2-c2cccs2)C1
InChIInChI=1S/C16H23N3S/c1-11-6-12(2)8-14(7-11)17-9-13-10-18-19-16(13)15-4-3-5-20-15/h3-5,10-12,14,17H,6-9H2,1-2H3,(H,18,19)
InChIKeyXZRJYDLMZABWSE-UHFFFAOYSA-N
XLogP4.05
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.45
LogP ≤ 54.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3,5-dimethyl-N-[(5-thiophen-2-yl-1H-pyrazol-4-yl)methyl]cyclohexan-1-amine?
The IUPAC name of 3,5-dimethyl-N-[(5-thiophen-2-yl-1H-pyrazol-4-yl)methyl]cyclohexan-1-amine (CID 64733627) is 3,5-dimethyl-N-[(5-thiophen-2-yl-1H-pyrazol-4-yl)methyl]cyclohexan-1-amine.
What is the SMILES notation for 3,5-dimethyl-N-[(5-thiophen-2-yl-1H-pyrazol-4-yl)methyl]cyclohexan-1-amine?
The canonical SMILES for 3,5-dimethyl-N-[(5-thiophen-2-yl-1H-pyrazol-4-yl)methyl]cyclohexan-1-amine is CC1CC(C)CC(NCc2cn[nH]c2-c2cccs2)C1.
What is the InChIKey of 3,5-dimethyl-N-[(5-thiophen-2-yl-1H-pyrazol-4-yl)methyl]cyclohexan-1-amine?
The InChIKey is XZRJYDLMZABWSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3S/c1-11-6-12(2)8-14(7-11)17-9-13-10-18-19-16(13)15-4-3-5-20-15/h3-5,10-12,14,17H,6-9H2,1-2H3,(H,18,19).
What are the key properties of 3,5-dimethyl-N-[(5-thiophen-2-yl-1H-pyrazol-4-yl)methyl]cyclohexan-1-amine?
3,5-dimethyl-N-[(5-thiophen-2-yl-1H-pyrazol-4-yl)methyl]cyclohexan-1-amine has a molecular weight of 289.45 g/mol, XLogP of 4.05, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethyl-N-[(5-thiophen-2-yl-1H-pyrazol-4-yl)methyl]cyclohexan-1-amine is sourced from PubChem (CID 64733627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).