(1S)-1-(4-fluorophenyl)-2-[(5-pyridin-3-yl-1H-pyrazol-4-yl)methylamino]ethanol

C17H17FN4O — CID 95135767

IUPAC(1S)-1-(4-fluorophenyl)-2-[(5-pyridin-3-yl-1H-pyrazol-4-yl)methylamino]ethanol
SMILESO[C@H](CNCc1cn[nH]c1-c1cccnc1)c1ccc(F)cc1
InChIInChI=1S/C17H17FN4O/c18-15-5-3-12(4-6-15)16(23)11-20-9-14-10-21-22-17(14)13-2-1-7-19-8-13/h1-8,10,16,20,23H,9,11H2,(H,21,22)/t16-/m1/s1
InChIKeyHDEZTWPMTUUQIM-MRXNPFEDSA-N
MW312.35 g/mol
LogP2.43
Rot. Bonds6

About (1S)-1-(4-fluorophenyl)-2-[(5-pyridin-3-yl-1H-pyrazol-4-yl)methylamino]ethanol

(1S)-1-(4-fluorophenyl)-2-[(5-pyridin-3-yl-1H-pyrazol-4-yl)methylamino]ethanol (PubChem CID 95135767) has the molecular formula C17H17FN4O and a molecular weight of 312.35 g/mol. Its IUPAC name is (1S)-1-(4-fluorophenyl)-2-[(5-pyridin-3-yl-1H-pyrazol-4-yl)methylamino]ethanol.

Molecular Properties

Compound Name(1S)-1-(4-fluorophenyl)-2-[(5-pyridin-3-yl-1H-pyrazol-4-yl)methylamino]ethanol
PubChem CID95135767
Molecular FormulaC17H17FN4O
Molecular Weight312.35 g/mol
Exact Mass312.14
IUPAC Name(1S)-1-(4-fluorophenyl)-2-[(5-pyridin-3-yl-1H-pyrazol-4-yl)methylamino]ethanol
SMILESO[C@H](CNCc1cn[nH]c1-c1cccnc1)c1ccc(F)cc1
InChIInChI=1S/C17H17FN4O/c18-15-5-3-12(4-6-15)16(23)11-20-9-14-10-21-22-17(14)13-2-1-7-19-8-13/h1-8,10,16,20,23H,9,11H2,(H,21,22)/t16-/m1/s1
InChIKeyHDEZTWPMTUUQIM-MRXNPFEDSA-N
XLogP2.43
TPSA73.83 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.35
LogP ≤ 52.43
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze (1S)-1-(4-fluorophenyl)-2-[(5-pyridin-3-yl-1H-pyrazol-4-yl)methylamino]ethanol with MolForge

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Related Compounds

(1S)-1-(4-fluorophenyl)-N,N-dimethyl-N'-[(5-pyridin-3-yl-1H-pyrazol-4-yl)methyl]ethane-1,2-diamine
CID 95139082
3-methyl-1-[(5-pyridin-3-yl-1H-pyrazol-4-yl)methylamino]butan-2-ol
CID 111422008
1-(3,4-difluorophenyl)-2-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methylamino]ethanol
CID 51089422
(1S)-1-(3,4-difluorophenyl)-2-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methylamino]ethanol
CID 94800566
2-ethoxy-N-[(5-pyridin-3-yl-1H-pyrazol-4-yl)methyl]propan-1-amine
CID 115655743
2-phenyl-N-[(5-pyridin-3-yl-1H-pyrazol-4-yl)methyl]-2-pyrrolidin-1-ylethanamine
CID 86808090
2,2-dimethyl-N-[(5-pyridin-3-yl-1H-pyrazol-4-yl)methyl]propan-1-amine
CID 61167800
(5-pyridin-3-yl-1H-pyrazol-4-yl)methanol
CID 43753528
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
methyl 2-[(5-pyridin-3-yl-1H-pyrazol-4-yl)methylamino]acetate
CID 43756904
(2R)-2-methyl-3-pyrazol-1-yl-N-[(5-pyridin-3-yl-1H-pyrazol-4-yl)methyl]propan-1-amine
CID 95136759

Frequently Asked Questions

What is the IUPAC name of (1S)-1-(4-fluorophenyl)-2-[(5-pyridin-3-yl-1H-pyrazol-4-yl)methylamino]ethanol?
The IUPAC name of (1S)-1-(4-fluorophenyl)-2-[(5-pyridin-3-yl-1H-pyrazol-4-yl)methylamino]ethanol (CID 95135767) is (1S)-1-(4-fluorophenyl)-2-[(5-pyridin-3-yl-1H-pyrazol-4-yl)methylamino]ethanol.
What is the SMILES notation for (1S)-1-(4-fluorophenyl)-2-[(5-pyridin-3-yl-1H-pyrazol-4-yl)methylamino]ethanol?
The canonical SMILES for (1S)-1-(4-fluorophenyl)-2-[(5-pyridin-3-yl-1H-pyrazol-4-yl)methylamino]ethanol is O[C@H](CNCc1cn[nH]c1-c1cccnc1)c1ccc(F)cc1.
What is the InChIKey of (1S)-1-(4-fluorophenyl)-2-[(5-pyridin-3-yl-1H-pyrazol-4-yl)methylamino]ethanol?
The InChIKey is HDEZTWPMTUUQIM-MRXNPFEDSA-N. The full InChI is InChI=1S/C17H17FN4O/c18-15-5-3-12(4-6-15)16(23)11-20-9-14-10-21-22-17(14)13-2-1-7-19-8-13/h1-8,10,16,20,23H,9,11H2,(H,21,22)/t16-/m1/s1.
What are the key properties of (1S)-1-(4-fluorophenyl)-2-[(5-pyridin-3-yl-1H-pyrazol-4-yl)methylamino]ethanol?
(1S)-1-(4-fluorophenyl)-2-[(5-pyridin-3-yl-1H-pyrazol-4-yl)methylamino]ethanol has a molecular weight of 312.35 g/mol, XLogP of 2.43, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-(4-fluorophenyl)-2-[(5-pyridin-3-yl-1H-pyrazol-4-yl)methylamino]ethanol is sourced from PubChem (CID 95135767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).