[2-[(5-thiophen-2-yl-1H-pyrazol-4-yl)methylamino]cyclohexyl]methanol

C15H21N3OS — CID 106359673

IUPAC[2-[(5-thiophen-2-yl-1H-pyrazol-4-yl)methylamino]cyclohexyl]methanol
SMILESOCC1CCCCC1NCc1cn[nH]c1-c1cccs1
InChIInChI=1S/C15H21N3OS/c19-10-11-4-1-2-5-13(11)16-8-12-9-17-18-15(12)14-6-3-7-20-14/h3,6-7,9,11,13,16,19H,1-2,4-5,8,10H2,(H,17,18)
InChIKeyCBZVZJXPBKUAFR-UHFFFAOYSA-N
MW291.42 g/mol
LogP2.78
Rot. Bonds5

About [2-[(5-thiophen-2-yl-1H-pyrazol-4-yl)methylamino]cyclohexyl]methanol

[2-[(5-thiophen-2-yl-1H-pyrazol-4-yl)methylamino]cyclohexyl]methanol (PubChem CID 106359673) has the molecular formula C15H21N3OS and a molecular weight of 291.42 g/mol. Its IUPAC name is [2-[(5-thiophen-2-yl-1H-pyrazol-4-yl)methylamino]cyclohexyl]methanol.

Molecular Properties

Compound Name[2-[(5-thiophen-2-yl-1H-pyrazol-4-yl)methylamino]cyclohexyl]methanol
PubChem CID106359673
Molecular FormulaC15H21N3OS
Molecular Weight291.42 g/mol
Exact Mass291.14
IUPAC Name[2-[(5-thiophen-2-yl-1H-pyrazol-4-yl)methylamino]cyclohexyl]methanol
SMILESOCC1CCCCC1NCc1cn[nH]c1-c1cccs1
InChIInChI=1S/C15H21N3OS/c19-10-11-4-1-2-5-13(11)16-8-12-9-17-18-15(12)14-6-3-7-20-14/h3,6-7,9,11,13,16,19H,1-2,4-5,8,10H2,(H,17,18)
InChIKeyCBZVZJXPBKUAFR-UHFFFAOYSA-N
XLogP2.78
TPSA60.94 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.42
LogP ≤ 52.78
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [2-[(5-thiophen-2-yl-1H-pyrazol-4-yl)methylamino]cyclohexyl]methanol?
The IUPAC name of [2-[(5-thiophen-2-yl-1H-pyrazol-4-yl)methylamino]cyclohexyl]methanol (CID 106359673) is [2-[(5-thiophen-2-yl-1H-pyrazol-4-yl)methylamino]cyclohexyl]methanol.
What is the SMILES notation for [2-[(5-thiophen-2-yl-1H-pyrazol-4-yl)methylamino]cyclohexyl]methanol?
The canonical SMILES for [2-[(5-thiophen-2-yl-1H-pyrazol-4-yl)methylamino]cyclohexyl]methanol is OCC1CCCCC1NCc1cn[nH]c1-c1cccs1.
What is the InChIKey of [2-[(5-thiophen-2-yl-1H-pyrazol-4-yl)methylamino]cyclohexyl]methanol?
The InChIKey is CBZVZJXPBKUAFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3OS/c19-10-11-4-1-2-5-13(11)16-8-12-9-17-18-15(12)14-6-3-7-20-14/h3,6-7,9,11,13,16,19H,1-2,4-5,8,10H2,(H,17,18).
What are the key properties of [2-[(5-thiophen-2-yl-1H-pyrazol-4-yl)methylamino]cyclohexyl]methanol?
[2-[(5-thiophen-2-yl-1H-pyrazol-4-yl)methylamino]cyclohexyl]methanol has a molecular weight of 291.42 g/mol, XLogP of 2.78, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(5-thiophen-2-yl-1H-pyrazol-4-yl)methylamino]cyclohexyl]methanol is sourced from PubChem (CID 106359673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).