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

C17H23N3O — CID 106359839

IUPAC[2-[(5-phenyl-1H-pyrazol-4-yl)methylamino]cyclohexyl]methanol
SMILESOCC1CCCCC1NCc1cn[nH]c1-c1ccccc1
InChIInChI=1S/C17H23N3O/c21-12-14-8-4-5-9-16(14)18-10-15-11-19-20-17(15)13-6-2-1-3-7-13/h1-3,6-7,11,14,16,18,21H,4-5,8-10,12H2,(H,19,20)
InChIKeyYBCCRZJYKXGILE-UHFFFAOYSA-N
MW285.39 g/mol
LogP2.72
Rot. Bonds5

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

[2-[(5-phenyl-1H-pyrazol-4-yl)methylamino]cyclohexyl]methanol (PubChem CID 106359839) has the molecular formula C17H23N3O and a molecular weight of 285.39 g/mol. Its IUPAC name is [2-[(5-phenyl-1H-pyrazol-4-yl)methylamino]cyclohexyl]methanol.

Molecular Properties

Compound Name[2-[(5-phenyl-1H-pyrazol-4-yl)methylamino]cyclohexyl]methanol
PubChem CID106359839
Molecular FormulaC17H23N3O
Molecular Weight285.39 g/mol
Exact Mass285.18
IUPAC Name[2-[(5-phenyl-1H-pyrazol-4-yl)methylamino]cyclohexyl]methanol
SMILESOCC1CCCCC1NCc1cn[nH]c1-c1ccccc1
InChIInChI=1S/C17H23N3O/c21-12-14-8-4-5-9-16(14)18-10-15-11-19-20-17(15)13-6-2-1-3-7-13/h1-3,6-7,11,14,16,18,21H,4-5,8-10,12H2,(H,19,20)
InChIKeyYBCCRZJYKXGILE-UHFFFAOYSA-N
XLogP2.72
TPSA60.94 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.39
LogP ≤ 52.72
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

[2-[(5-pyridin-3-yl-1H-pyrazol-4-yl)methylamino]cyclohexyl]methanol
CID 106359814
[2-[(5-thiophen-2-yl-1H-pyrazol-4-yl)methylamino]cyclohexyl]methanol
CID 106359673
[2-[[5-(5-methylfuran-2-yl)-1H-pyrazol-4-yl]methylamino]cyclohexyl]methanol
CID 106359756
4-methyl-N-[(5-phenyl-1H-pyrazol-4-yl)methyl]cyclohexan-1-amine
CID 47114367
cis-(1S,2R)-2-[[5-(4-methylphenyl)-1H-pyrazol-4-yl]methylamino]cyclopentane-1-carboxylic acid
CID 138021569
3-methyl-N-[(5-phenyl-1H-pyrazol-4-yl)methyl]cyclobutan-1-amine
CID 115671480
[2-[(5-phenyl-1,3,4-oxadiazol-2-yl)methylamino]cyclohexyl]methanol
CID 104934517
3-methyl-N-[(5-phenyl-1H-pyrazol-4-yl)methyl]cyclopentan-1-amine
CID 114544063
[2-[(2-aminophenyl)methylamino]cyclopentyl]methanol
CID 106359504
trans-(1R,5R)-4,4-difluoro-5-[(5-phenyl-1H-pyrazol-4-yl)methylamino]cycloheptane-1-carboxylic acid
CID 167787247
4-[(5-phenyl-1H-pyrazol-4-yl)methylamino]pyrrolidin-2-one
CID 106184519
1-methyl-3-[(5-phenyl-1H-pyrazol-4-yl)methylamino]pyrrolidin-2-one
CID 106253521

Frequently Asked Questions

What is the IUPAC name of [2-[(5-phenyl-1H-pyrazol-4-yl)methylamino]cyclohexyl]methanol?
The IUPAC name of [2-[(5-phenyl-1H-pyrazol-4-yl)methylamino]cyclohexyl]methanol (CID 106359839) is [2-[(5-phenyl-1H-pyrazol-4-yl)methylamino]cyclohexyl]methanol.
What is the SMILES notation for [2-[(5-phenyl-1H-pyrazol-4-yl)methylamino]cyclohexyl]methanol?
The canonical SMILES for [2-[(5-phenyl-1H-pyrazol-4-yl)methylamino]cyclohexyl]methanol is OCC1CCCCC1NCc1cn[nH]c1-c1ccccc1.
What is the InChIKey of [2-[(5-phenyl-1H-pyrazol-4-yl)methylamino]cyclohexyl]methanol?
The InChIKey is YBCCRZJYKXGILE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O/c21-12-14-8-4-5-9-16(14)18-10-15-11-19-20-17(15)13-6-2-1-3-7-13/h1-3,6-7,11,14,16,18,21H,4-5,8-10,12H2,(H,19,20).
What are the key properties of [2-[(5-phenyl-1H-pyrazol-4-yl)methylamino]cyclohexyl]methanol?
[2-[(5-phenyl-1H-pyrazol-4-yl)methylamino]cyclohexyl]methanol has a molecular weight of 285.39 g/mol, XLogP of 2.72, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(5-phenyl-1H-pyrazol-4-yl)methylamino]cyclohexyl]methanol is sourced from PubChem (CID 106359839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).