[2-[(5-pyridin-3-yl-1H-pyrazol-4-yl)methylamino]cyclohexyl]methanol

C16H22N4O — CID 106359814

IUPAC[2-[(5-pyridin-3-yl-1H-pyrazol-4-yl)methylamino]cyclohexyl]methanol
SMILESOCC1CCCCC1NCc1cn[nH]c1-c1cccnc1
InChIInChI=1S/C16H22N4O/c21-11-13-4-1-2-6-15(13)18-9-14-10-19-20-16(14)12-5-3-7-17-8-12/h3,5,7-8,10,13,15,18,21H,1-2,4,6,9,11H2,(H,19,20)
InChIKeyXJASYPCWAVDDQH-UHFFFAOYSA-N
MW286.38 g/mol
LogP2.11
Rot. Bonds5

About [2-[(5-pyridin-3-yl-1H-pyrazol-4-yl)methylamino]cyclohexyl]methanol

[2-[(5-pyridin-3-yl-1H-pyrazol-4-yl)methylamino]cyclohexyl]methanol (PubChem CID 106359814) has the molecular formula C16H22N4O and a molecular weight of 286.38 g/mol. Its IUPAC name is [2-[(5-pyridin-3-yl-1H-pyrazol-4-yl)methylamino]cyclohexyl]methanol.

Molecular Properties

Compound Name[2-[(5-pyridin-3-yl-1H-pyrazol-4-yl)methylamino]cyclohexyl]methanol
PubChem CID106359814
Molecular FormulaC16H22N4O
Molecular Weight286.38 g/mol
Exact Mass286.18
IUPAC Name[2-[(5-pyridin-3-yl-1H-pyrazol-4-yl)methylamino]cyclohexyl]methanol
SMILESOCC1CCCCC1NCc1cn[nH]c1-c1cccnc1
InChIInChI=1S/C16H22N4O/c21-11-13-4-1-2-6-15(13)18-9-14-10-19-20-16(14)12-5-3-7-17-8-12/h3,5,7-8,10,13,15,18,21H,1-2,4,6,9,11H2,(H,19,20)
InChIKeyXJASYPCWAVDDQH-UHFFFAOYSA-N
XLogP2.11
TPSA73.83 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.38
LogP ≤ 52.11
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

[2-[(5-phenyl-1H-pyrazol-4-yl)methylamino]cyclohexyl]methanol
CID 106359839
N-[(5-pyridin-3-yl-1H-pyrazol-4-yl)methyl]cyclobutanamine
CID 62416311
[2-[(5-thiophen-2-yl-1H-pyrazol-4-yl)methylamino]cyclohexyl]methanol
CID 106359673
[2-(pyridin-3-ylmethylamino)cyclohexyl]methanol
CID 111440219
[2-[[5-(5-methylfuran-2-yl)-1H-pyrazol-4-yl]methylamino]cyclohexyl]methanol
CID 106359756
(5-pyridin-3-yl-1H-pyrazol-4-yl)methanol
CID 43753528
3-methyl-N-[(5-pyridin-3-yl-1H-pyrazol-4-yl)methyl]cyclohexan-1-amine
CID 43775484
2,2-dimethyl-N-[(5-pyridin-3-yl-1H-pyrazol-4-yl)methyl]cyclopropan-1-amine
CID 61221388
1,1-dioxo-N-[(5-pyridin-3-yl-1H-pyrazol-4-yl)methyl]thian-4-amine
CID 43778666
4-[[(5-pyridin-3-yl-1H-pyrazol-4-yl)methylamino]methyl]cyclohexan-1-ol
CID 106127229
N'-cyclopentyl-N'-methyl-N-[(5-pyridin-3-yl-1H-pyrazol-4-yl)methyl]ethane-1,2-diamine
CID 119123770
2,2-dimethyl-3-[(5-pyridin-3-yl-1H-pyrazol-4-yl)methylamino]cyclobutan-1-ol
CID 114629007

Frequently Asked Questions

What is the IUPAC name of [2-[(5-pyridin-3-yl-1H-pyrazol-4-yl)methylamino]cyclohexyl]methanol?
The IUPAC name of [2-[(5-pyridin-3-yl-1H-pyrazol-4-yl)methylamino]cyclohexyl]methanol (CID 106359814) is [2-[(5-pyridin-3-yl-1H-pyrazol-4-yl)methylamino]cyclohexyl]methanol.
What is the SMILES notation for [2-[(5-pyridin-3-yl-1H-pyrazol-4-yl)methylamino]cyclohexyl]methanol?
The canonical SMILES for [2-[(5-pyridin-3-yl-1H-pyrazol-4-yl)methylamino]cyclohexyl]methanol is OCC1CCCCC1NCc1cn[nH]c1-c1cccnc1.
What is the InChIKey of [2-[(5-pyridin-3-yl-1H-pyrazol-4-yl)methylamino]cyclohexyl]methanol?
The InChIKey is XJASYPCWAVDDQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4O/c21-11-13-4-1-2-6-15(13)18-9-14-10-19-20-16(14)12-5-3-7-17-8-12/h3,5,7-8,10,13,15,18,21H,1-2,4,6,9,11H2,(H,19,20).
What are the key properties of [2-[(5-pyridin-3-yl-1H-pyrazol-4-yl)methylamino]cyclohexyl]methanol?
[2-[(5-pyridin-3-yl-1H-pyrazol-4-yl)methylamino]cyclohexyl]methanol has a molecular weight of 286.38 g/mol, XLogP of 2.11, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(5-pyridin-3-yl-1H-pyrazol-4-yl)methylamino]cyclohexyl]methanol is sourced from PubChem (CID 106359814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).