2-[[1-(4-fluorophenyl)pyrazol-4-yl]methylamino]-4-methylpentan-1-ol

C16H22FN3O — CID 110931861

IUPAC2-[[1-(4-fluorophenyl)pyrazol-4-yl]methylamino]-4-methylpentan-1-ol
SMILESCC(C)CC(CO)NCc1cnn(-c2ccc(F)cc2)c1
InChIInChI=1S/C16H22FN3O/c1-12(2)7-15(11-21)18-8-13-9-19-20(10-13)16-5-3-14(17)4-6-16/h3-6,9-10,12,15,18,21H,7-8,11H2,1-2H3
InChIKeyIRMCQGUVDZOIMP-UHFFFAOYSA-N
MW291.37 g/mol
LogP2.51
Rot. Bonds7

About 2-[[1-(4-fluorophenyl)pyrazol-4-yl]methylamino]-4-methylpentan-1-ol

2-[[1-(4-fluorophenyl)pyrazol-4-yl]methylamino]-4-methylpentan-1-ol (PubChem CID 110931861) has the molecular formula C16H22FN3O and a molecular weight of 291.37 g/mol. Its IUPAC name is 2-[[1-(4-fluorophenyl)pyrazol-4-yl]methylamino]-4-methylpentan-1-ol.

Molecular Properties

Compound Name2-[[1-(4-fluorophenyl)pyrazol-4-yl]methylamino]-4-methylpentan-1-ol
PubChem CID110931861
Molecular FormulaC16H22FN3O
Molecular Weight291.37 g/mol
Exact Mass291.17
IUPAC Name2-[[1-(4-fluorophenyl)pyrazol-4-yl]methylamino]-4-methylpentan-1-ol
SMILESCC(C)CC(CO)NCc1cnn(-c2ccc(F)cc2)c1
InChIInChI=1S/C16H22FN3O/c1-12(2)7-15(11-21)18-8-13-9-19-20(10-13)16-5-3-14(17)4-6-16/h3-6,9-10,12,15,18,21H,7-8,11H2,1-2H3
InChIKeyIRMCQGUVDZOIMP-UHFFFAOYSA-N
XLogP2.51
TPSA50.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.37
LogP ≤ 52.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-[[1-(4-fluorophenyl)pyrazol-4-yl]methylamino]propan-2-ol
CID 110931852
1-N,1-N,4-trimethyl-2-N-[(1-phenylpyrazol-4-yl)methyl]pentane-1,2-diamine
CID 119122223
2-[(1-tert-butylpyrazol-4-yl)methylamino]-4-methylpentan-1-ol
CID 61247444
2-[[1-(4-fluorophenyl)pyrazol-4-yl]methylamino]-2-methylbutan-1-ol
CID 111440130
N-[[1-(4-fluorophenyl)pyrazol-4-yl]methyl]cyclopropanamine
CID 61270957
2-cyclopropyl-2-[[1-(4-fluorophenyl)pyrazol-4-yl]methylamino]propan-1-ol
CID 111977150
(2R)-2-(dimethylamino)-2-(4-fluorophenyl)-N-[[1-(4-fluorophenyl)pyrazol-4-yl]methyl]acetamide
CID 97207538
4-methyl-2-[(1-methylpyrrol-3-yl)methylamino]pentan-1-ol
CID 66400659
(2S)-2-(benzylamino)-4-methylpentan-1-ol
CID 11298719
4-[[(1-hydroxy-4-methylpentan-2-yl)amino]methyl]phenol
CID 61240678
4-methyl-2-[1-(1-phenylpyrazol-4-yl)ethylamino]pentan-1-ol
CID 81319723
4-methyl-1-[(1-phenylpyrazol-4-yl)methylamino]pentan-2-ol
CID 103631647

Frequently Asked Questions

What is the IUPAC name of 2-[[1-(4-fluorophenyl)pyrazol-4-yl]methylamino]-4-methylpentan-1-ol?
The IUPAC name of 2-[[1-(4-fluorophenyl)pyrazol-4-yl]methylamino]-4-methylpentan-1-ol (CID 110931861) is 2-[[1-(4-fluorophenyl)pyrazol-4-yl]methylamino]-4-methylpentan-1-ol.
What is the SMILES notation for 2-[[1-(4-fluorophenyl)pyrazol-4-yl]methylamino]-4-methylpentan-1-ol?
The canonical SMILES for 2-[[1-(4-fluorophenyl)pyrazol-4-yl]methylamino]-4-methylpentan-1-ol is CC(C)CC(CO)NCc1cnn(-c2ccc(F)cc2)c1.
What is the InChIKey of 2-[[1-(4-fluorophenyl)pyrazol-4-yl]methylamino]-4-methylpentan-1-ol?
The InChIKey is IRMCQGUVDZOIMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22FN3O/c1-12(2)7-15(11-21)18-8-13-9-19-20(10-13)16-5-3-14(17)4-6-16/h3-6,9-10,12,15,18,21H,7-8,11H2,1-2H3.
What are the key properties of 2-[[1-(4-fluorophenyl)pyrazol-4-yl]methylamino]-4-methylpentan-1-ol?
2-[[1-(4-fluorophenyl)pyrazol-4-yl]methylamino]-4-methylpentan-1-ol has a molecular weight of 291.37 g/mol, XLogP of 2.51, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[1-(4-fluorophenyl)pyrazol-4-yl]methylamino]-4-methylpentan-1-ol is sourced from PubChem (CID 110931861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).