1-[[(3-fluorophenyl)-(1-methylpyrazol-4-yl)methyl]amino]-4-methylpentan-3-ol

C17H24FN3O — CID 110010875

IUPAC1-[[(3-fluorophenyl)-(1-methylpyrazol-4-yl)methyl]amino]-4-methylpentan-3-ol
SMILESCC(C)C(O)CCNC(c1cccc(F)c1)c1cnn(C)c1
InChIInChI=1S/C17H24FN3O/c1-12(2)16(22)7-8-19-17(14-10-20-21(3)11-14)13-5-4-6-15(18)9-13/h4-6,9-12,16-17,19,22H,7-8H2,1-3H3
InChIKeyQXJGLUZVUYIZPL-UHFFFAOYSA-N
MW305.40 g/mol
LogP2.65
Rot. Bonds7

About 1-[[(3-fluorophenyl)-(1-methylpyrazol-4-yl)methyl]amino]-4-methylpentan-3-ol

1-[[(3-fluorophenyl)-(1-methylpyrazol-4-yl)methyl]amino]-4-methylpentan-3-ol (PubChem CID 110010875) has the molecular formula C17H24FN3O and a molecular weight of 305.40 g/mol. Its IUPAC name is 1-[[(3-fluorophenyl)-(1-methylpyrazol-4-yl)methyl]amino]-4-methylpentan-3-ol.

Molecular Properties

Compound Name1-[[(3-fluorophenyl)-(1-methylpyrazol-4-yl)methyl]amino]-4-methylpentan-3-ol
PubChem CID110010875
Molecular FormulaC17H24FN3O
Molecular Weight305.40 g/mol
Exact Mass305.19
IUPAC Name1-[[(3-fluorophenyl)-(1-methylpyrazol-4-yl)methyl]amino]-4-methylpentan-3-ol
SMILESCC(C)C(O)CCNC(c1cccc(F)c1)c1cnn(C)c1
InChIInChI=1S/C17H24FN3O/c1-12(2)16(22)7-8-19-17(14-10-20-21(3)11-14)13-5-4-6-15(18)9-13/h4-6,9-12,16-17,19,22H,7-8H2,1-3H3
InChIKeyQXJGLUZVUYIZPL-UHFFFAOYSA-N
XLogP2.65
TPSA50.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.40
LogP ≤ 52.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-[[(3-fluorophenyl)-(1-methylpyrazol-4-yl)methyl]amino]-3-pyrrolidin-1-ylpropan-2-ol
CID 110010260
1-[[(3-fluorophenyl)-(1-methylpyrazol-4-yl)methyl]amino]-2-thiophen-3-ylpropan-2-ol
CID 110010798
2-[1-[[[(3-fluorophenyl)-(1-methylpyrazol-4-yl)methyl]amino]methyl]cyclohexyl]ethanol
CID 110011054
N-[(3-chlorophenyl)-(1-methylpyrazol-4-yl)methyl]propan-1-amine
CID 43497323
N-[[3-(difluoromethoxy)phenyl]-(1-methylpyrazol-4-yl)methyl]propan-1-amine
CID 43497241
(2S)-4-[[(1R)-1-(3-fluorophenyl)ethyl]amino]butan-2-ol
CID 96787699
N-[(3-methoxyphenyl)-(1-methylpyrazol-4-yl)methyl]ethanamine
CID 43492453
2-(3-fluorophenyl)-N-methyl-4-(1-methylpyrazol-4-yl)butan-1-amine
CID 103014697
N-[(3-fluorophenyl)-(4-methoxy-1-methylpyrazol-5-yl)methyl]propan-1-amine
CID 114646330
2-(3,4-dimethoxyphenyl)-N-[(R)-(1-methylpyrazol-4-yl)-phenylmethyl]ethanamine
CID 100716248
2-[[(S)-(3-fluorophenyl)-(1-methylpyrazol-4-yl)methyl]-methylamino]-N-[(2S)-octan-2-yl]acetamide
CID 95774073
N-[(3-fluorophenyl)-(2-methylpyrazol-3-yl)methyl]ethanamine
CID 63961805

Frequently Asked Questions

What is the IUPAC name of 1-[[(3-fluorophenyl)-(1-methylpyrazol-4-yl)methyl]amino]-4-methylpentan-3-ol?
The IUPAC name of 1-[[(3-fluorophenyl)-(1-methylpyrazol-4-yl)methyl]amino]-4-methylpentan-3-ol (CID 110010875) is 1-[[(3-fluorophenyl)-(1-methylpyrazol-4-yl)methyl]amino]-4-methylpentan-3-ol.
What is the SMILES notation for 1-[[(3-fluorophenyl)-(1-methylpyrazol-4-yl)methyl]amino]-4-methylpentan-3-ol?
The canonical SMILES for 1-[[(3-fluorophenyl)-(1-methylpyrazol-4-yl)methyl]amino]-4-methylpentan-3-ol is CC(C)C(O)CCNC(c1cccc(F)c1)c1cnn(C)c1.
What is the InChIKey of 1-[[(3-fluorophenyl)-(1-methylpyrazol-4-yl)methyl]amino]-4-methylpentan-3-ol?
The InChIKey is QXJGLUZVUYIZPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24FN3O/c1-12(2)16(22)7-8-19-17(14-10-20-21(3)11-14)13-5-4-6-15(18)9-13/h4-6,9-12,16-17,19,22H,7-8H2,1-3H3.
What are the key properties of 1-[[(3-fluorophenyl)-(1-methylpyrazol-4-yl)methyl]amino]-4-methylpentan-3-ol?
1-[[(3-fluorophenyl)-(1-methylpyrazol-4-yl)methyl]amino]-4-methylpentan-3-ol has a molecular weight of 305.40 g/mol, XLogP of 2.65, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[(3-fluorophenyl)-(1-methylpyrazol-4-yl)methyl]amino]-4-methylpentan-3-ol is sourced from PubChem (CID 110010875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).