trans-(1R,2R)-2-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methylamino]-4-(pyrazol-1-ylmethyl)cyclopentan-1-ol

C19H22FN5O — CID 166285880

IUPACtrans-(1R,2R)-2-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methylamino]-4-(pyrazol-1-ylmethyl)cyclopentan-1-ol
SMILESO[C@@H]1CC(Cn2cccn2)C[C@H]1NCc1cn[nH]c1-c1ccc(F)cc1
InChIInChI=1S/C19H22FN5O/c20-16-4-2-14(3-5-16)19-15(11-22-24-19)10-21-17-8-13(9-18(17)26)12-25-7-1-6-23-25/h1-7,11,13,17-18,21,26H,8-10,12H2,(H,22,24)/t13?,17-,18-/m1/s1
InChIKeyGNCCQEZJTMLTFR-NGKGQXKNSA-N
MW355.42 g/mol
LogP2.34
Rot. Bonds6

About trans-(1R,2R)-2-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methylamino]-4-(pyrazol-1-ylmethyl)cyclopentan-1-ol

trans-(1R,2R)-2-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methylamino]-4-(pyrazol-1-ylmethyl)cyclopentan-1-ol (PubChem CID 166285880) has the molecular formula C19H22FN5O and a molecular weight of 355.42 g/mol. Its IUPAC name is trans-(1R,2R)-2-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methylamino]-4-(pyrazol-1-ylmethyl)cyclopentan-1-ol.

Molecular Properties

Compound Nametrans-(1R,2R)-2-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methylamino]-4-(pyrazol-1-ylmethyl)cyclopentan-1-ol
PubChem CID166285880
Molecular FormulaC19H22FN5O
Molecular Weight355.42 g/mol
Exact Mass355.18
IUPAC Nametrans-(1R,2R)-2-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methylamino]-4-(pyrazol-1-ylmethyl)cyclopentan-1-ol
SMILESO[C@@H]1CC(Cn2cccn2)C[C@H]1NCc1cn[nH]c1-c1ccc(F)cc1
InChIInChI=1S/C19H22FN5O/c20-16-4-2-14(3-5-16)19-15(11-22-24-19)10-21-17-8-13(9-18(17)26)12-25-7-1-6-23-25/h1-7,11,13,17-18,21,26H,8-10,12H2,(H,22,24)/t13?,17-,18-/m1/s1
InChIKeyGNCCQEZJTMLTFR-NGKGQXKNSA-N
XLogP2.34
TPSA78.76 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.42
LogP ≤ 52.34
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

trans-(1R,2R)-2-[[5-(5-chlorofuran-2-yl)-1H-pyrazol-4-yl]methylamino]-4-[(4-chloropyrazol-1-yl)methyl]cyclopentan-1-ol
CID 167827392
trans-(1R,2R)-2-[(4-fluoro-1H-indol-2-yl)methylamino]-4-(pyrazol-1-ylmethyl)cyclopentan-1-ol
CID 146153809
trans-(1R,2R)-2-[[4-methyl-2-(1-methylpyrazol-4-yl)phenyl]methylamino]-4-(pyrazol-1-ylmethyl)cyclopentan-1-ol
CID 166285873
trans-(1R,2R)-4-(imidazol-1-ylmethyl)-2-[[5-(1-methylpyrazol-3-yl)-1H-pyrazol-4-yl]methylamino]cyclopentan-1-ol
CID 167814853
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-(2-methylpropyl)-3-pyridinyl]methylamino]-4-(pyrazol-1-ylmethyl)cyclopentan-1-ol
CID 154803195
trans-(1R,2R)-2-[(3-fluoro-2-pyridinyl)amino]-4-(pyrazol-1-ylmethyl)cyclopentan-1-ol
CID 146113015
6-[[[(1R,2R)-2-hydroxy-4-(pyrazol-1-ylmethyl)cyclopentyl]amino]methyl]-4H-1,4-benzoxazin-3-one
CID 146113143
trans-(1R,2R)-2-[[(E)-2-methyl-3-phenylprop-2-enyl]amino]-4-(pyrazol-1-ylmethyl)cyclopentan-1-ol
CID 166285878
N-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]-1-(2-pyrazol-1-yl-3-pyridinyl)methanamine
CID 47030685
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
2-(5-fluoro-1,2-benzoxazol-3-yl)-N-[(1R,2R)-2-hydroxy-4-(pyrazol-1-ylmethyl)cyclopentyl]acetamide
CID 166286089

Frequently Asked Questions

What is the IUPAC name of trans-(1R,2R)-2-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methylamino]-4-(pyrazol-1-ylmethyl)cyclopentan-1-ol?
The IUPAC name of trans-(1R,2R)-2-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methylamino]-4-(pyrazol-1-ylmethyl)cyclopentan-1-ol (CID 166285880) is trans-(1R,2R)-2-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methylamino]-4-(pyrazol-1-ylmethyl)cyclopentan-1-ol.
What is the SMILES notation for trans-(1R,2R)-2-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methylamino]-4-(pyrazol-1-ylmethyl)cyclopentan-1-ol?
The canonical SMILES for trans-(1R,2R)-2-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methylamino]-4-(pyrazol-1-ylmethyl)cyclopentan-1-ol is O[C@@H]1CC(Cn2cccn2)C[C@H]1NCc1cn[nH]c1-c1ccc(F)cc1.
What is the InChIKey of trans-(1R,2R)-2-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methylamino]-4-(pyrazol-1-ylmethyl)cyclopentan-1-ol?
The InChIKey is GNCCQEZJTMLTFR-NGKGQXKNSA-N. The full InChI is InChI=1S/C19H22FN5O/c20-16-4-2-14(3-5-16)19-15(11-22-24-19)10-21-17-8-13(9-18(17)26)12-25-7-1-6-23-25/h1-7,11,13,17-18,21,26H,8-10,12H2,(H,22,24)/t13?,17-,18-/m1/s1.
What are the key properties of trans-(1R,2R)-2-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methylamino]-4-(pyrazol-1-ylmethyl)cyclopentan-1-ol?
trans-(1R,2R)-2-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methylamino]-4-(pyrazol-1-ylmethyl)cyclopentan-1-ol has a molecular weight of 355.42 g/mol, XLogP of 2.34, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1R,2R)-2-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methylamino]-4-(pyrazol-1-ylmethyl)cyclopentan-1-ol is sourced from PubChem (CID 166285880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).