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

C15H20FN3O — CID 111440130

IUPAC2-[[1-(4-fluorophenyl)pyrazol-4-yl]methylamino]-2-methylbutan-1-ol
SMILESCCC(C)(CO)NCc1cnn(-c2ccc(F)cc2)c1
InChIInChI=1S/C15H20FN3O/c1-3-15(2,11-20)17-8-12-9-18-19(10-12)14-6-4-13(16)5-7-14/h4-7,9-10,17,20H,3,8,11H2,1-2H3
InChIKeyXRZNTZBIVMTOLL-UHFFFAOYSA-N
MW277.34 g/mol
LogP2.26
Rot. Bonds6

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

2-[[1-(4-fluorophenyl)pyrazol-4-yl]methylamino]-2-methylbutan-1-ol (PubChem CID 111440130) has the molecular formula C15H20FN3O and a molecular weight of 277.34 g/mol. Its IUPAC name is 2-[[1-(4-fluorophenyl)pyrazol-4-yl]methylamino]-2-methylbutan-1-ol.

Molecular Properties

Compound Name2-[[1-(4-fluorophenyl)pyrazol-4-yl]methylamino]-2-methylbutan-1-ol
PubChem CID111440130
Molecular FormulaC15H20FN3O
Molecular Weight277.34 g/mol
Exact Mass277.16
IUPAC Name2-[[1-(4-fluorophenyl)pyrazol-4-yl]methylamino]-2-methylbutan-1-ol
SMILESCCC(C)(CO)NCc1cnn(-c2ccc(F)cc2)c1
InChIInChI=1S/C15H20FN3O/c1-3-15(2,11-20)17-8-12-9-18-19(10-12)14-6-4-13(16)5-7-14/h4-7,9-10,17,20H,3,8,11H2,1-2H3
InChIKeyXRZNTZBIVMTOLL-UHFFFAOYSA-N
XLogP2.26
TPSA50.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.34
LogP ≤ 52.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-cyclopropyl-2-[[1-(4-fluorophenyl)pyrazol-4-yl]methylamino]propan-1-ol
CID 111977150
1-[[1-(4-fluorophenyl)pyrazol-4-yl]methylamino]propan-2-ol
CID 110931852
2-[[1-(4-fluorophenyl)pyrazol-4-yl]methylamino]-4-methylpentan-1-ol
CID 110931861
N-[[1-(4-fluorophenyl)pyrazol-4-yl]methyl]cyclopropanamine
CID 61270957
2-[(3-chloro-4-fluorophenyl)methylamino]-2-methylbutan-1-ol
CID 81145012
(2R)-2-(dimethylamino)-2-(4-fluorophenyl)-N-[[1-(4-fluorophenyl)pyrazol-4-yl]methyl]acetamide
CID 97207538
N-(4-fluorophenyl)-4-[4-[(propanoylamino)methyl]pyrazol-1-yl]benzamide
CID 53161690
N-[[1-(4-bromophenyl)pyrazol-4-yl]methyl]ethanamine
CID 60958392
3-methyl-N-[(1-propylpyrazol-4-yl)methyl]pentan-3-amine
CID 115632424
2-(4-fluoroanilino)-2-methylbutan-1-ol
CID 61050548
1-[1-(4-fluorophenyl)pyrazol-4-yl]propan-1-one
CID 171484231
2-(ethylamino)-2-methyl-N-[(1-phenylpyrazol-4-yl)methyl]propanamide
CID 62835939

Frequently Asked Questions

What is the IUPAC name of 2-[[1-(4-fluorophenyl)pyrazol-4-yl]methylamino]-2-methylbutan-1-ol?
The IUPAC name of 2-[[1-(4-fluorophenyl)pyrazol-4-yl]methylamino]-2-methylbutan-1-ol (CID 111440130) is 2-[[1-(4-fluorophenyl)pyrazol-4-yl]methylamino]-2-methylbutan-1-ol.
What is the SMILES notation for 2-[[1-(4-fluorophenyl)pyrazol-4-yl]methylamino]-2-methylbutan-1-ol?
The canonical SMILES for 2-[[1-(4-fluorophenyl)pyrazol-4-yl]methylamino]-2-methylbutan-1-ol is CCC(C)(CO)NCc1cnn(-c2ccc(F)cc2)c1.
What is the InChIKey of 2-[[1-(4-fluorophenyl)pyrazol-4-yl]methylamino]-2-methylbutan-1-ol?
The InChIKey is XRZNTZBIVMTOLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20FN3O/c1-3-15(2,11-20)17-8-12-9-18-19(10-12)14-6-4-13(16)5-7-14/h4-7,9-10,17,20H,3,8,11H2,1-2H3.
What are the key properties of 2-[[1-(4-fluorophenyl)pyrazol-4-yl]methylamino]-2-methylbutan-1-ol?
2-[[1-(4-fluorophenyl)pyrazol-4-yl]methylamino]-2-methylbutan-1-ol has a molecular weight of 277.34 g/mol, XLogP of 2.26, 6 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]-2-methylbutan-1-ol is sourced from PubChem (CID 111440130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).