[1-[[[5-(3-fluorophenyl)-1H-pyrazol-4-yl]methyl-methylamino]methyl]cyclopropyl]methanol

C16H20FN3O — CID 56704883

IUPAC[1-[[[5-(3-fluorophenyl)-1H-pyrazol-4-yl]methyl-methylamino]methyl]cyclopropyl]methanol
SMILESCN(Cc1cn[nH]c1-c1cccc(F)c1)CC1(CO)CC1
InChIInChI=1S/C16H20FN3O/c1-20(10-16(11-21)5-6-16)9-13-8-18-19-15(13)12-3-2-4-14(17)7-12/h2-4,7-8,21H,5-6,9-11H2,1H3,(H,18,19)
InChIKeyJUXKXHBBKUOTMI-UHFFFAOYSA-N
MW289.35 g/mol
LogP2.42
Rot. Bonds6

About [1-[[[5-(3-fluorophenyl)-1H-pyrazol-4-yl]methyl-methylamino]methyl]cyclopropyl]methanol

[1-[[[5-(3-fluorophenyl)-1H-pyrazol-4-yl]methyl-methylamino]methyl]cyclopropyl]methanol (PubChem CID 56704883) has the molecular formula C16H20FN3O and a molecular weight of 289.35 g/mol. Its IUPAC name is [1-[[[5-(3-fluorophenyl)-1H-pyrazol-4-yl]methyl-methylamino]methyl]cyclopropyl]methanol.

Molecular Properties

Compound Name[1-[[[5-(3-fluorophenyl)-1H-pyrazol-4-yl]methyl-methylamino]methyl]cyclopropyl]methanol
PubChem CID56704883
Molecular FormulaC16H20FN3O
Molecular Weight289.35 g/mol
Exact Mass289.16
IUPAC Name[1-[[[5-(3-fluorophenyl)-1H-pyrazol-4-yl]methyl-methylamino]methyl]cyclopropyl]methanol
SMILESCN(Cc1cn[nH]c1-c1cccc(F)c1)CC1(CO)CC1
InChIInChI=1S/C16H20FN3O/c1-20(10-16(11-21)5-6-16)9-13-8-18-19-15(13)12-3-2-4-14(17)7-12/h2-4,7-8,21H,5-6,9-11H2,1H3,(H,18,19)
InChIKeyJUXKXHBBKUOTMI-UHFFFAOYSA-N
XLogP2.42
TPSA52.15 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.35
LogP ≤ 52.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-{[5-(4-Fluorophenyl)-1h-Pyrazol-4-Yl]methyl}-N-Methylethane-1,2-Diamine
CID 86304614
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CID 16187516
[3-benzyl-1-(1H-pyrazol-3-ylmethyl)piperidin-3-yl]methanol
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2-[1-(3,4-difluorobenzyl)-4-(1H-pyrazol-3-ylmethyl)piperazin-2-yl]ethanol
CID 16190588
2-{Benzyl-[5-(4-fluoro-phenyl)-1H-pyrazol-4-ylmethyl]-amino}-ethanol
CID 644634
2-{[5-(3,4-Dimethyl-phenyl)-1H-pyrazol-4-ylmethyl]-ethyl-amino}-ethanol
CID 648723
2-[4-[(3-cyclohexyl-1H-pyrazol-4-yl)methyl]-1-(4-methylbenzyl)-2-piperazinyl]ethanol
CID 16188712
{3-(2-methylbenzyl)-1-[(3-phenyl-1H-pyrazol-4-yl)methyl]piperidin-3-yl}methanol
CID 16190408
{3-benzyl-1-[(3-phenyl-1H-pyrazol-4-yl)methyl]piperidin-3-yl}methanol
CID 16188354
[3-benzyl-1-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]piperidin-3-yl]methanol
CID 45174640
(3S)-1-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]-3-(piperidin-1-ylmethyl)pyrrolidin-3-ol
CID 96405438
4-{2-[3-(4-fluorophenyl)-1H-pyrazol-4-yl]ethyl}morpholine
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Frequently Asked Questions

What is the IUPAC name of [1-[[[5-(3-fluorophenyl)-1H-pyrazol-4-yl]methyl-methylamino]methyl]cyclopropyl]methanol?
The IUPAC name of [1-[[[5-(3-fluorophenyl)-1H-pyrazol-4-yl]methyl-methylamino]methyl]cyclopropyl]methanol (CID 56704883) is [1-[[[5-(3-fluorophenyl)-1H-pyrazol-4-yl]methyl-methylamino]methyl]cyclopropyl]methanol.
What is the SMILES notation for [1-[[[5-(3-fluorophenyl)-1H-pyrazol-4-yl]methyl-methylamino]methyl]cyclopropyl]methanol?
The canonical SMILES for [1-[[[5-(3-fluorophenyl)-1H-pyrazol-4-yl]methyl-methylamino]methyl]cyclopropyl]methanol is CN(Cc1cn[nH]c1-c1cccc(F)c1)CC1(CO)CC1.
What is the InChIKey of [1-[[[5-(3-fluorophenyl)-1H-pyrazol-4-yl]methyl-methylamino]methyl]cyclopropyl]methanol?
The InChIKey is JUXKXHBBKUOTMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20FN3O/c1-20(10-16(11-21)5-6-16)9-13-8-18-19-15(13)12-3-2-4-14(17)7-12/h2-4,7-8,21H,5-6,9-11H2,1H3,(H,18,19).
What are the key properties of [1-[[[5-(3-fluorophenyl)-1H-pyrazol-4-yl]methyl-methylamino]methyl]cyclopropyl]methanol?
[1-[[[5-(3-fluorophenyl)-1H-pyrazol-4-yl]methyl-methylamino]methyl]cyclopropyl]methanol has a molecular weight of 289.35 g/mol, XLogP of 2.42, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[[[5-(3-fluorophenyl)-1H-pyrazol-4-yl]methyl-methylamino]methyl]cyclopropyl]methanol is sourced from PubChem (CID 56704883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).