2-[4-(4-pyrazol-1-ylbutan-2-ylamino)phenoxy]cyclohexan-1-ol

C19H27N3O2 — CID 110013529

IUPAC2-[4-(4-pyrazol-1-ylbutan-2-ylamino)phenoxy]cyclohexan-1-ol
SMILESCC(CCn1cccn1)Nc1ccc(OC2CCCCC2O)cc1
InChIInChI=1S/C19H27N3O2/c1-15(11-14-22-13-4-12-20-22)21-16-7-9-17(10-8-16)24-19-6-3-2-5-18(19)23/h4,7-10,12-13,15,18-19,21,23H,2-3,5-6,11,14H2,1H3
InChIKeyHWUQZAHQSYTNAR-UHFFFAOYSA-N
MW329.44 g/mol
LogP3.46
Rot. Bonds7

About 2-[4-(4-pyrazol-1-ylbutan-2-ylamino)phenoxy]cyclohexan-1-ol

2-[4-(4-pyrazol-1-ylbutan-2-ylamino)phenoxy]cyclohexan-1-ol (PubChem CID 110013529) has the molecular formula C19H27N3O2 and a molecular weight of 329.44 g/mol. Its IUPAC name is 2-[4-(4-pyrazol-1-ylbutan-2-ylamino)phenoxy]cyclohexan-1-ol.

Molecular Properties

Compound Name2-[4-(4-pyrazol-1-ylbutan-2-ylamino)phenoxy]cyclohexan-1-ol
PubChem CID110013529
Molecular FormulaC19H27N3O2
Molecular Weight329.44 g/mol
Exact Mass329.21
IUPAC Name2-[4-(4-pyrazol-1-ylbutan-2-ylamino)phenoxy]cyclohexan-1-ol
SMILESCC(CCn1cccn1)Nc1ccc(OC2CCCCC2O)cc1
InChIInChI=1S/C19H27N3O2/c1-15(11-14-22-13-4-12-20-22)21-16-7-9-17(10-8-16)24-19-6-3-2-5-18(19)23/h4,7-10,12-13,15,18-19,21,23H,2-3,5-6,11,14H2,1H3
InChIKeyHWUQZAHQSYTNAR-UHFFFAOYSA-N
XLogP3.46
TPSA59.31 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.44
LogP ≤ 53.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Related Compounds

2-Propanol, 3-(tert-butylamino)-1-(6-(1-(1H-pyrazol-1-yl)vinyl)phenoxy)-
CID 3069766
1-(Propan-2-ylamino)-3-[2-(1-pyrazol-1-ylethenyl)phenoxy]propan-2-ol
CID 15916952
1-(Propan-2-ylamino)-3-[2-(pyrazol-1-ylmethyl)phenoxy]propan-2-ol
CID 15917632
N-{4-[2-hydroxy-3-(1H-pyrazol-1-yl)propoxy]phenyl}acetamide
CID 6499769
1-(Propan-2-ylamino)-3-[4-(2-pyrazol-1-ylethoxy)phenoxy]propan-2-ol
CID 20205240
1-(Tert-butylamino)-3-[4-(2-pyrazol-1-ylethoxy)phenoxy]propan-2-ol
CID 20205246
1-(Propan-2-ylamino)-3-[4-(2-pyrazol-1-ylethyl)phenoxy]propan-2-ol
CID 20205252
1-(Propan-2-ylamino)-3-[4-(pyrazol-1-ylmethoxy)phenoxy]propan-2-ol
CID 20205279
1-(Propan-2-ylamino)-3-[4-(pyrazol-1-ylmethyl)phenoxy]propan-2-ol
CID 20205281
1-(Propan-2-ylamino)-3-[4-(3-pyrazol-1-ylpropoxy)phenoxy]propan-2-ol
CID 20205297
1-(Propan-2-ylamino)-3-[4-(3-pyrazol-1-ylpropyl)phenoxy]propan-2-ol
CID 20205323
N-(4-ethoxyphenyl)-3-(1H-pyrazol-1-yl)propanamide
CID 16026432

Frequently Asked Questions

What is the IUPAC name of 2-[4-(4-pyrazol-1-ylbutan-2-ylamino)phenoxy]cyclohexan-1-ol?
The IUPAC name of 2-[4-(4-pyrazol-1-ylbutan-2-ylamino)phenoxy]cyclohexan-1-ol (CID 110013529) is 2-[4-(4-pyrazol-1-ylbutan-2-ylamino)phenoxy]cyclohexan-1-ol.
What is the SMILES notation for 2-[4-(4-pyrazol-1-ylbutan-2-ylamino)phenoxy]cyclohexan-1-ol?
The canonical SMILES for 2-[4-(4-pyrazol-1-ylbutan-2-ylamino)phenoxy]cyclohexan-1-ol is CC(CCn1cccn1)Nc1ccc(OC2CCCCC2O)cc1.
What is the InChIKey of 2-[4-(4-pyrazol-1-ylbutan-2-ylamino)phenoxy]cyclohexan-1-ol?
The InChIKey is HWUQZAHQSYTNAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N3O2/c1-15(11-14-22-13-4-12-20-22)21-16-7-9-17(10-8-16)24-19-6-3-2-5-18(19)23/h4,7-10,12-13,15,18-19,21,23H,2-3,5-6,11,14H2,1H3.
What are the key properties of 2-[4-(4-pyrazol-1-ylbutan-2-ylamino)phenoxy]cyclohexan-1-ol?
2-[4-(4-pyrazol-1-ylbutan-2-ylamino)phenoxy]cyclohexan-1-ol has a molecular weight of 329.44 g/mol, XLogP of 3.46, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(4-pyrazol-1-ylbutan-2-ylamino)phenoxy]cyclohexan-1-ol is sourced from PubChem (CID 110013529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).