trans-(1R,2R)-2-[[(E)-2-methyl-3-phenylprop-2-enyl]amino]-4-(pyrazol-1-ylmethyl)cyclopentan-1-ol

C19H25N3O — CID 166285878

IUPACtrans-(1R,2R)-2-[[(E)-2-methyl-3-phenylprop-2-enyl]amino]-4-(pyrazol-1-ylmethyl)cyclopentan-1-ol
SMILESC/C(=C\c1ccccc1)CN[C@@H]1CC(Cn2cccn2)C[C@H]1O
InChIInChI=1S/C19H25N3O/c1-15(10-16-6-3-2-4-7-16)13-20-18-11-17(12-19(18)23)14-22-9-5-8-21-22/h2-10,17-20,23H,11-14H2,1H3/b15-10+/t17?,18-,19-/m1/s1
InChIKeyDLXBJDBUHONJHT-NHXXMJHFSA-N
MW311.43 g/mol
LogP2.72
Rot. Bonds6

About trans-(1R,2R)-2-[[(E)-2-methyl-3-phenylprop-2-enyl]amino]-4-(pyrazol-1-ylmethyl)cyclopentan-1-ol

trans-(1R,2R)-2-[[(E)-2-methyl-3-phenylprop-2-enyl]amino]-4-(pyrazol-1-ylmethyl)cyclopentan-1-ol (PubChem CID 166285878) has the molecular formula C19H25N3O and a molecular weight of 311.43 g/mol. Its IUPAC name is trans-(1R,2R)-2-[[(E)-2-methyl-3-phenylprop-2-enyl]amino]-4-(pyrazol-1-ylmethyl)cyclopentan-1-ol.

Molecular Properties

Compound Nametrans-(1R,2R)-2-[[(E)-2-methyl-3-phenylprop-2-enyl]amino]-4-(pyrazol-1-ylmethyl)cyclopentan-1-ol
PubChem CID166285878
Molecular FormulaC19H25N3O
Molecular Weight311.43 g/mol
Exact Mass311.20
IUPAC Nametrans-(1R,2R)-2-[[(E)-2-methyl-3-phenylprop-2-enyl]amino]-4-(pyrazol-1-ylmethyl)cyclopentan-1-ol
SMILESC/C(=C\c1ccccc1)CN[C@@H]1CC(Cn2cccn2)C[C@H]1O
InChIInChI=1S/C19H25N3O/c1-15(10-16-6-3-2-4-7-16)13-20-18-11-17(12-19(18)23)14-22-9-5-8-21-22/h2-10,17-20,23H,11-14H2,1H3/b15-10+/t17?,18-,19-/m1/s1
InChIKeyDLXBJDBUHONJHT-NHXXMJHFSA-N
XLogP2.72
TPSA50.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.43
LogP ≤ 52.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

trans-(1R,2R)-2-[3-(6-methyl-3-pyridinyl)propylamino]-4-(pyrazol-1-ylmethyl)cyclopentan-1-ol
CID 146113142
trans-(1R,2R)-2-[(3-bromo-4-pyridinyl)amino]-4-(pyrazol-1-ylmethyl)cyclopentan-1-ol
CID 146153878
trans-(1R,2R)-2-[[6-(2-methylpropyl)-3-pyridinyl]methylamino]-4-(pyrazol-1-ylmethyl)cyclopentan-1-ol
CID 154803195
N-[(1R,2R)-2-hydroxy-4-(pyrazol-1-ylmethyl)cyclopentyl]-2-(2-oxo-1-pyridinyl)acetamide
CID 146110037
N-[(1R,2R)-2-hydroxy-4-(pyrazol-1-ylmethyl)cyclopentyl]-2-(2-methylindol-1-yl)acetamide
CID 166286144
trans-(1R,2R)-2-[(3-chloro-4-methyl-2-pyridinyl)amino]-4-(pyrazol-1-ylmethyl)cyclopentan-1-ol
CID 167781265
trans-(1R,2R)-2-[(3-fluoro-2-pyridinyl)amino]-4-(pyrazol-1-ylmethyl)cyclopentan-1-ol
CID 146113015
trans-(1R,2R)-2-[(2,6-dicyclopropylpyrimidin-4-yl)amino]-4-(pyrazol-1-ylmethyl)cyclopentan-1-ol
CID 167878720
trans-(1R,2R)-2-(3,4-dihydro-1H-isochromen-6-ylmethylamino)-4-(pyrazol-1-ylmethyl)cyclopentan-1-ol
CID 146112411
trans-(1R,2R)-2-(6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazin-2-ylmethylamino)-4-(pyrazol-1-ylmethyl)cyclopentan-1-ol
CID 166285957
N-[(1R,2R)-2-hydroxy-4-(pyrazol-1-ylmethyl)cyclopentyl]isoquinoline-1-carboxamide
CID 166286123
trans-(1R,2R)-4-(pyrazol-1-ylmethyl)-2-[(1-pyridin-2-ylpiperidin-4-yl)amino]cyclopentan-1-ol
CID 146113945

Frequently Asked Questions

What is the IUPAC name of trans-(1R,2R)-2-[[(E)-2-methyl-3-phenylprop-2-enyl]amino]-4-(pyrazol-1-ylmethyl)cyclopentan-1-ol?
The IUPAC name of trans-(1R,2R)-2-[[(E)-2-methyl-3-phenylprop-2-enyl]amino]-4-(pyrazol-1-ylmethyl)cyclopentan-1-ol (CID 166285878) is trans-(1R,2R)-2-[[(E)-2-methyl-3-phenylprop-2-enyl]amino]-4-(pyrazol-1-ylmethyl)cyclopentan-1-ol.
What is the SMILES notation for trans-(1R,2R)-2-[[(E)-2-methyl-3-phenylprop-2-enyl]amino]-4-(pyrazol-1-ylmethyl)cyclopentan-1-ol?
The canonical SMILES for trans-(1R,2R)-2-[[(E)-2-methyl-3-phenylprop-2-enyl]amino]-4-(pyrazol-1-ylmethyl)cyclopentan-1-ol is C/C(=C\c1ccccc1)CN[C@@H]1CC(Cn2cccn2)C[C@H]1O.
What is the InChIKey of trans-(1R,2R)-2-[[(E)-2-methyl-3-phenylprop-2-enyl]amino]-4-(pyrazol-1-ylmethyl)cyclopentan-1-ol?
The InChIKey is DLXBJDBUHONJHT-NHXXMJHFSA-N. The full InChI is InChI=1S/C19H25N3O/c1-15(10-16-6-3-2-4-7-16)13-20-18-11-17(12-19(18)23)14-22-9-5-8-21-22/h2-10,17-20,23H,11-14H2,1H3/b15-10+/t17?,18-,19-/m1/s1.
What are the key properties of trans-(1R,2R)-2-[[(E)-2-methyl-3-phenylprop-2-enyl]amino]-4-(pyrazol-1-ylmethyl)cyclopentan-1-ol?
trans-(1R,2R)-2-[[(E)-2-methyl-3-phenylprop-2-enyl]amino]-4-(pyrazol-1-ylmethyl)cyclopentan-1-ol has a molecular weight of 311.43 g/mol, XLogP of 2.72, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1R,2R)-2-[[(E)-2-methyl-3-phenylprop-2-enyl]amino]-4-(pyrazol-1-ylmethyl)cyclopentan-1-ol is sourced from PubChem (CID 166285878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).