[1-[(3-pyrazol-1-ylanilino)methyl]cyclohexyl]methanol

C17H23N3O — CID 81400862

IUPAC[1-[(3-pyrazol-1-ylanilino)methyl]cyclohexyl]methanol
SMILESOCC1(CNc2cccc(-n3cccn3)c2)CCCCC1
InChIInChI=1S/C17H23N3O/c21-14-17(8-2-1-3-9-17)13-18-15-6-4-7-16(12-15)20-11-5-10-19-20/h4-7,10-12,18,21H,1-3,8-9,13-14H2
InChIKeyZKSGIPNVPFPWHF-UHFFFAOYSA-N
MW285.39 g/mol
LogP3.23
Rot. Bonds5

About [1-[(3-pyrazol-1-ylanilino)methyl]cyclohexyl]methanol

[1-[(3-pyrazol-1-ylanilino)methyl]cyclohexyl]methanol (PubChem CID 81400862) has the molecular formula C17H23N3O and a molecular weight of 285.39 g/mol. Its IUPAC name is [1-[(3-pyrazol-1-ylanilino)methyl]cyclohexyl]methanol.

Molecular Properties

Compound Name[1-[(3-pyrazol-1-ylanilino)methyl]cyclohexyl]methanol
PubChem CID81400862
Molecular FormulaC17H23N3O
Molecular Weight285.39 g/mol
Exact Mass285.18
IUPAC Name[1-[(3-pyrazol-1-ylanilino)methyl]cyclohexyl]methanol
SMILESOCC1(CNc2cccc(-n3cccn3)c2)CCCCC1
InChIInChI=1S/C17H23N3O/c21-14-17(8-2-1-3-9-17)13-18-15-6-4-7-16(12-15)20-11-5-10-19-20/h4-7,10-12,18,21H,1-3,8-9,13-14H2
InChIKeyZKSGIPNVPFPWHF-UHFFFAOYSA-N
XLogP3.23
TPSA50.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.39
LogP ≤ 53.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

[1-[(3-methylsulfanylanilino)methyl]cyclohexyl]methanol
CID 81410870
3-[[1-(hydroxymethyl)cyclopentyl]methylamino]benzoic acid
CID 102823234
2-ethyl-2-[(3-pyrazol-1-ylanilino)methyl]butan-1-ol
CID 81412463
3-oxo-3-(3-pyrazol-1-ylanilino)propanoic acid
CID 55049356
[1-[(2,3-dihydro-1H-inden-5-ylamino)methyl]cyclohexyl]methanol
CID 81411087
N-hexyl-3-pyrazol-1-ylaniline
CID 43739910
N-[(4-chlorophenyl)methyl]-3-pyrazol-1-ylaniline
CID 43739916
N-(furan-2-ylmethyl)-3-pyrazol-1-ylaniline
CID 43739947
N-[(2-bromophenyl)methyl]-3-pyrazol-1-ylaniline
CID 43739976
[1-[(4-aminoanilino)methyl]cyclohexyl]methanol
CID 103965357
[1-[(4-iodoanilino)methyl]cyclohexyl]methanol
CID 81412401
[1-[(3-aminoanilino)methyl]cyclopropyl]methanol
CID 115454159

Frequently Asked Questions

What is the IUPAC name of [1-[(3-pyrazol-1-ylanilino)methyl]cyclohexyl]methanol?
The IUPAC name of [1-[(3-pyrazol-1-ylanilino)methyl]cyclohexyl]methanol (CID 81400862) is [1-[(3-pyrazol-1-ylanilino)methyl]cyclohexyl]methanol.
What is the SMILES notation for [1-[(3-pyrazol-1-ylanilino)methyl]cyclohexyl]methanol?
The canonical SMILES for [1-[(3-pyrazol-1-ylanilino)methyl]cyclohexyl]methanol is OCC1(CNc2cccc(-n3cccn3)c2)CCCCC1.
What is the InChIKey of [1-[(3-pyrazol-1-ylanilino)methyl]cyclohexyl]methanol?
The InChIKey is ZKSGIPNVPFPWHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O/c21-14-17(8-2-1-3-9-17)13-18-15-6-4-7-16(12-15)20-11-5-10-19-20/h4-7,10-12,18,21H,1-3,8-9,13-14H2.
What are the key properties of [1-[(3-pyrazol-1-ylanilino)methyl]cyclohexyl]methanol?
[1-[(3-pyrazol-1-ylanilino)methyl]cyclohexyl]methanol has a molecular weight of 285.39 g/mol, XLogP of 3.23, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[(3-pyrazol-1-ylanilino)methyl]cyclohexyl]methanol is sourced from PubChem (CID 81400862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).