1-(5-amino-1H-pyrazol-4-yl)-2-(1-cyclohexylpyrazol-3-yl)ethanol

C14H21N5O — CID 65362107

IUPAC1-(5-amino-1H-pyrazol-4-yl)-2-(1-cyclohexylpyrazol-3-yl)ethanol
SMILESNc1[nH]ncc1C(O)Cc1ccn(C2CCCCC2)n1
InChIInChI=1S/C14H21N5O/c15-14-12(9-16-17-14)13(20)8-10-6-7-19(18-10)11-4-2-1-3-5-11/h6-7,9,11,13,20H,1-5,8H2,(H3,15,16,17)
InChIKeyQCNCULLHDFUOIS-UHFFFAOYSA-N
MW275.36 g/mol
LogP1.97
Rot. Bonds4

About 1-(5-amino-1H-pyrazol-4-yl)-2-(1-cyclohexylpyrazol-3-yl)ethanol

1-(5-amino-1H-pyrazol-4-yl)-2-(1-cyclohexylpyrazol-3-yl)ethanol (PubChem CID 65362107) has the molecular formula C14H21N5O and a molecular weight of 275.36 g/mol. Its IUPAC name is 1-(5-amino-1H-pyrazol-4-yl)-2-(1-cyclohexylpyrazol-3-yl)ethanol.

Molecular Properties

Compound Name1-(5-amino-1H-pyrazol-4-yl)-2-(1-cyclohexylpyrazol-3-yl)ethanol
PubChem CID65362107
Molecular FormulaC14H21N5O
Molecular Weight275.36 g/mol
Exact Mass275.17
IUPAC Name1-(5-amino-1H-pyrazol-4-yl)-2-(1-cyclohexylpyrazol-3-yl)ethanol
SMILESNc1[nH]ncc1C(O)Cc1ccn(C2CCCCC2)n1
InChIInChI=1S/C14H21N5O/c15-14-12(9-16-17-14)13(20)8-10-6-7-19(18-10)11-4-2-1-3-5-11/h6-7,9,11,13,20H,1-5,8H2,(H3,15,16,17)
InChIKeyQCNCULLHDFUOIS-UHFFFAOYSA-N
XLogP1.97
TPSA92.75 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.36
LogP ≤ 51.97
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

1-(2-bromophenyl)-2-(1-cyclohexylpyrazol-3-yl)ethanol
CID 64786012
2-(1-cyclohexylpyrazol-3-yl)-1-(2-iodophenyl)ethanol
CID 115805134
1-(4-bromophenyl)-2-(1-cyclohexylpyrazol-3-yl)ethanol
CID 64784262
1-(2-bromofuran-3-yl)-2-(1-cyclopentylpyrazol-3-yl)ethanol
CID 106859308
1-(4-bromophenyl)-2-(1-cyclopentylpyrazol-3-yl)ethanol
CID 64784263
1-(1-cyclohexylpyrazol-3-yl)-3-phenylpropan-2-ol
CID 64784664
3-(1-cyclopentylpyrazol-3-yl)-2-fluoropropan-1-amine
CID 112562613
2-(1-cyclohexylpyrazol-3-yl)-1-(5-methyl-3-pyridinyl)ethanol
CID 105102376
1-(3-chloro-2-fluorophenyl)-2-(1-cyclopentylpyrazol-3-yl)ethanol
CID 64785666
1-(2-bromo-5-methylphenyl)-2-(1-cyclopentylpyrazol-3-yl)ethanol
CID 115810015
1-(1-cyclohexylpyrazol-3-yl)-3-methylsulfonylpropan-2-ol
CID 112692637
1-cycloheptyl-2-(1-cyclohexylpyrazol-3-yl)ethanamine
CID 65399634

Frequently Asked Questions

What is the IUPAC name of 1-(5-amino-1H-pyrazol-4-yl)-2-(1-cyclohexylpyrazol-3-yl)ethanol?
The IUPAC name of 1-(5-amino-1H-pyrazol-4-yl)-2-(1-cyclohexylpyrazol-3-yl)ethanol (CID 65362107) is 1-(5-amino-1H-pyrazol-4-yl)-2-(1-cyclohexylpyrazol-3-yl)ethanol.
What is the SMILES notation for 1-(5-amino-1H-pyrazol-4-yl)-2-(1-cyclohexylpyrazol-3-yl)ethanol?
The canonical SMILES for 1-(5-amino-1H-pyrazol-4-yl)-2-(1-cyclohexylpyrazol-3-yl)ethanol is Nc1[nH]ncc1C(O)Cc1ccn(C2CCCCC2)n1.
What is the InChIKey of 1-(5-amino-1H-pyrazol-4-yl)-2-(1-cyclohexylpyrazol-3-yl)ethanol?
The InChIKey is QCNCULLHDFUOIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N5O/c15-14-12(9-16-17-14)13(20)8-10-6-7-19(18-10)11-4-2-1-3-5-11/h6-7,9,11,13,20H,1-5,8H2,(H3,15,16,17).
What are the key properties of 1-(5-amino-1H-pyrazol-4-yl)-2-(1-cyclohexylpyrazol-3-yl)ethanol?
1-(5-amino-1H-pyrazol-4-yl)-2-(1-cyclohexylpyrazol-3-yl)ethanol has a molecular weight of 275.36 g/mol, XLogP of 1.97, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-amino-1H-pyrazol-4-yl)-2-(1-cyclohexylpyrazol-3-yl)ethanol is sourced from PubChem (CID 65362107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).