trans-(1S,2S)-2-[[1-[(4-fluorophenyl)methyl]pyrazol-4-yl]methylamino]cyclopentan-1-ol

C16H20FN3O — CID 100632539

IUPACtrans-(1S,2S)-2-[[1-[(4-fluorophenyl)methyl]pyrazol-4-yl]methylamino]cyclopentan-1-ol
SMILESO[C@H]1CCC[C@@H]1NCc1cnn(Cc2ccc(F)cc2)c1
InChIInChI=1S/C16H20FN3O/c17-14-6-4-12(5-7-14)10-20-11-13(9-19-20)8-18-15-2-1-3-16(15)21/h4-7,9,11,15-16,18,21H,1-3,8,10H2/t15-,16-/m0/s1
InChIKeyXFWSXKHGGIUKEV-HOTGVXAUSA-N
MW289.35 g/mol
LogP2.07
Rot. Bonds5

About trans-(1S,2S)-2-[[1-[(4-fluorophenyl)methyl]pyrazol-4-yl]methylamino]cyclopentan-1-ol

trans-(1S,2S)-2-[[1-[(4-fluorophenyl)methyl]pyrazol-4-yl]methylamino]cyclopentan-1-ol (PubChem CID 100632539) has the molecular formula C16H20FN3O and a molecular weight of 289.35 g/mol. Its IUPAC name is trans-(1S,2S)-2-[[1-[(4-fluorophenyl)methyl]pyrazol-4-yl]methylamino]cyclopentan-1-ol.

Molecular Properties

Compound Nametrans-(1S,2S)-2-[[1-[(4-fluorophenyl)methyl]pyrazol-4-yl]methylamino]cyclopentan-1-ol
PubChem CID100632539
Molecular FormulaC16H20FN3O
Molecular Weight289.35 g/mol
Exact Mass289.16
IUPAC Nametrans-(1S,2S)-2-[[1-[(4-fluorophenyl)methyl]pyrazol-4-yl]methylamino]cyclopentan-1-ol
SMILESO[C@H]1CCC[C@@H]1NCc1cnn(Cc2ccc(F)cc2)c1
InChIInChI=1S/C16H20FN3O/c17-14-6-4-12(5-7-14)10-20-11-13(9-19-20)8-18-15-2-1-3-16(15)21/h4-7,9,11,15-16,18,21H,1-3,8,10H2/t15-,16-/m0/s1
InChIKeyXFWSXKHGGIUKEV-HOTGVXAUSA-N
XLogP2.07
TPSA50.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.35
LogP ≤ 52.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze trans-(1S,2S)-2-[[1-[(4-fluorophenyl)methyl]pyrazol-4-yl]methylamino]cyclopentan-1-ol with MolForge

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Related Compounds

N-[[1-[(4-fluorophenyl)methyl]pyrazol-4-yl]methyl]-4,5,6,7-tetrahydro-2H-benzotriazol-5-amine
CID 166274914
N-[[1-[(4-fluorophenyl)methyl]pyrazol-4-yl]methyl]-3,4-dihydro-2H-thiochromen-4-amine
CID 166230397
4-[[[1-[(4-fluorophenyl)methyl]pyrazol-4-yl]methylamino]methyl]pyrrolidin-3-ol;hydrochloride
CID 120961800
N-[[1-[(3,4-difluorophenyl)methyl]pyrazol-4-yl]methyl]cyclopropanamine
CID 82930291
1-[[1-[(4-fluorophenyl)methyl]pyrazol-4-yl]methyl]piperidin-4-amine
CID 120834479
[1-[[4-(4-fluorophenyl)phenyl]methyl]pyrazol-4-yl]methanol
CID 166351915
trans-(1R,2R)-1-N,2-N-bis[(4-fluorophenyl)methyl]cyclohexane-1,2-diamine
CID 18660068
N-[[1-(4-fluorophenyl)pyrazol-4-yl]methyl]cyclopropanamine
CID 61270957
[2-[(1-ethylpyrazol-4-yl)methylamino]cyclopentyl]methanol
CID 115655039
1-[[1-[(4-fluorophenyl)methyl]pyrazol-4-yl]methyl]piperidine-2-carboxylic acid
CID 122040486
1-cyclopropyl-3-[1-[(4-fluorophenyl)methyl]pyrazol-4-yl]thiourea
CID 19677201
2-[(4-pyrazol-1-ylphenyl)methylamino]cyclohexan-1-ol
CID 60612400

Frequently Asked Questions

What is the IUPAC name of trans-(1S,2S)-2-[[1-[(4-fluorophenyl)methyl]pyrazol-4-yl]methylamino]cyclopentan-1-ol?
The IUPAC name of trans-(1S,2S)-2-[[1-[(4-fluorophenyl)methyl]pyrazol-4-yl]methylamino]cyclopentan-1-ol (CID 100632539) is trans-(1S,2S)-2-[[1-[(4-fluorophenyl)methyl]pyrazol-4-yl]methylamino]cyclopentan-1-ol.
What is the SMILES notation for trans-(1S,2S)-2-[[1-[(4-fluorophenyl)methyl]pyrazol-4-yl]methylamino]cyclopentan-1-ol?
The canonical SMILES for trans-(1S,2S)-2-[[1-[(4-fluorophenyl)methyl]pyrazol-4-yl]methylamino]cyclopentan-1-ol is O[C@H]1CCC[C@@H]1NCc1cnn(Cc2ccc(F)cc2)c1.
What is the InChIKey of trans-(1S,2S)-2-[[1-[(4-fluorophenyl)methyl]pyrazol-4-yl]methylamino]cyclopentan-1-ol?
The InChIKey is XFWSXKHGGIUKEV-HOTGVXAUSA-N. The full InChI is InChI=1S/C16H20FN3O/c17-14-6-4-12(5-7-14)10-20-11-13(9-19-20)8-18-15-2-1-3-16(15)21/h4-7,9,11,15-16,18,21H,1-3,8,10H2/t15-,16-/m0/s1.
What are the key properties of trans-(1S,2S)-2-[[1-[(4-fluorophenyl)methyl]pyrazol-4-yl]methylamino]cyclopentan-1-ol?
trans-(1S,2S)-2-[[1-[(4-fluorophenyl)methyl]pyrazol-4-yl]methylamino]cyclopentan-1-ol has a molecular weight of 289.35 g/mol, XLogP of 2.07, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1S,2S)-2-[[1-[(4-fluorophenyl)methyl]pyrazol-4-yl]methylamino]cyclopentan-1-ol is sourced from PubChem (CID 100632539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).