4-[[(5-pyridin-3-yl-1H-pyrazol-4-yl)methylamino]methyl]cyclohexan-1-ol

C16H22N4O — CID 106127229

IUPAC4-[[(5-pyridin-3-yl-1H-pyrazol-4-yl)methylamino]methyl]cyclohexan-1-ol
SMILESOC1CCC(CNCc2cn[nH]c2-c2cccnc2)CC1
InChIInChI=1S/C16H22N4O/c21-15-5-3-12(4-6-15)8-18-10-14-11-19-20-16(14)13-2-1-7-17-9-13/h1-2,7,9,11-12,15,18,21H,3-6,8,10H2,(H,19,20)
InChIKeyBIPLDNAPILUNOX-UHFFFAOYSA-N
MW286.38 g/mol
LogP2.11
Rot. Bonds5

About 4-[[(5-pyridin-3-yl-1H-pyrazol-4-yl)methylamino]methyl]cyclohexan-1-ol

4-[[(5-pyridin-3-yl-1H-pyrazol-4-yl)methylamino]methyl]cyclohexan-1-ol (PubChem CID 106127229) has the molecular formula C16H22N4O and a molecular weight of 286.38 g/mol. Its IUPAC name is 4-[[(5-pyridin-3-yl-1H-pyrazol-4-yl)methylamino]methyl]cyclohexan-1-ol.

Molecular Properties

Compound Name4-[[(5-pyridin-3-yl-1H-pyrazol-4-yl)methylamino]methyl]cyclohexan-1-ol
PubChem CID106127229
Molecular FormulaC16H22N4O
Molecular Weight286.38 g/mol
Exact Mass286.18
IUPAC Name4-[[(5-pyridin-3-yl-1H-pyrazol-4-yl)methylamino]methyl]cyclohexan-1-ol
SMILESOC1CCC(CNCc2cn[nH]c2-c2cccnc2)CC1
InChIInChI=1S/C16H22N4O/c21-15-5-3-12(4-6-15)8-18-10-14-11-19-20-16(14)13-2-1-7-17-9-13/h1-2,7,9,11-12,15,18,21H,3-6,8,10H2,(H,19,20)
InChIKeyBIPLDNAPILUNOX-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

Analyze 4-[[(5-pyridin-3-yl-1H-pyrazol-4-yl)methylamino]methyl]cyclohexan-1-ol with MolForge

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Related Compounds

N-[(5-pyridin-3-yl-1H-pyrazol-4-yl)methyl]-1-[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methanamine
CID 56814521
N-[(1-cyclopropylcyclopropyl)methyl]-1-(5-pyridin-3-yl-1H-pyrazol-4-yl)methanamine
CID 103838560
N-[(5-pyridin-3-yl-1H-pyrazol-4-yl)methyl]cyclobutanamine
CID 62416311
1-(1-ethylpyrrolidin-2-yl)-N-[(5-pyridin-3-yl-1H-pyrazol-4-yl)methyl]methanamine
CID 43764814
methyl 2-[(5-pyridin-3-yl-1H-pyrazol-4-yl)methylamino]acetate
CID 43756904
N-cyclopropyl-3-[(5-pyridin-3-yl-1H-pyrazol-4-yl)methylamino]propanamide
CID 78978275
2,2-dimethyl-N-[(5-pyridin-3-yl-1H-pyrazol-4-yl)methyl]propan-1-amine
CID 61167800
N'-cyclopentyl-N'-methyl-N-[(5-pyridin-3-yl-1H-pyrazol-4-yl)methyl]ethane-1,2-diamine
CID 119123770
(5-pyridin-3-yl-1H-pyrazol-4-yl)methanol
CID 43753528
[1-[[(5-pyridin-3-yl-1H-pyrazol-4-yl)methylamino]methyl]cyclobutyl]methanol
CID 126781528
1-(2-bromophenyl)-N-[(5-pyridin-3-yl-1H-pyrazol-4-yl)methyl]methanamine
CID 61402124
N-[(5-pyridin-3-yl-1H-pyrazol-4-yl)methyl]pyridin-3-amine
CID 43756710

Frequently Asked Questions

What is the IUPAC name of 4-[[(5-pyridin-3-yl-1H-pyrazol-4-yl)methylamino]methyl]cyclohexan-1-ol?
The IUPAC name of 4-[[(5-pyridin-3-yl-1H-pyrazol-4-yl)methylamino]methyl]cyclohexan-1-ol (CID 106127229) is 4-[[(5-pyridin-3-yl-1H-pyrazol-4-yl)methylamino]methyl]cyclohexan-1-ol.
What is the SMILES notation for 4-[[(5-pyridin-3-yl-1H-pyrazol-4-yl)methylamino]methyl]cyclohexan-1-ol?
The canonical SMILES for 4-[[(5-pyridin-3-yl-1H-pyrazol-4-yl)methylamino]methyl]cyclohexan-1-ol is OC1CCC(CNCc2cn[nH]c2-c2cccnc2)CC1.
What is the InChIKey of 4-[[(5-pyridin-3-yl-1H-pyrazol-4-yl)methylamino]methyl]cyclohexan-1-ol?
The InChIKey is BIPLDNAPILUNOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4O/c21-15-5-3-12(4-6-15)8-18-10-14-11-19-20-16(14)13-2-1-7-17-9-13/h1-2,7,9,11-12,15,18,21H,3-6,8,10H2,(H,19,20).
What are the key properties of 4-[[(5-pyridin-3-yl-1H-pyrazol-4-yl)methylamino]methyl]cyclohexan-1-ol?
4-[[(5-pyridin-3-yl-1H-pyrazol-4-yl)methylamino]methyl]cyclohexan-1-ol 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 4-[[(5-pyridin-3-yl-1H-pyrazol-4-yl)methylamino]methyl]cyclohexan-1-ol is sourced from PubChem (CID 106127229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).