(1R,2S,3R,4R)-3-[(1-methylpyrazol-4-yl)methylamino]-4-[6-(trifluoromethyl)-3-pyridinyl]cyclopentane-1,2-diol

C16H19F3N4O2 — CID 71694059

IUPAC(1R,2S,3R,4R)-3-[(1-methylpyrazol-4-yl)methylamino]-4-[6-(trifluoromethyl)-3-pyridinyl]cyclopentane-1,2-diol
SMILESCn1cc(CN[C@H]2[C@H](O)[C@H](O)C[C@@H]2c2ccc(C(F)(F)F)nc2)cn1
InChIInChI=1S/C16H19F3N4O2/c1-23-8-9(6-22-23)5-21-14-11(4-12(24)15(14)25)10-2-3-13(20-7-10)16(17,18)19/h2-3,6-8,11-12,14-15,21,24-25H,4-5H2,1H3/t11-,12-,14-,15-/m1/s1
InChIKeyIYTFXVMFRKOASV-QHSBEEBCSA-N
MW356.35 g/mol
LogP1.20
Rot. Bonds4

About (1R,2S,3R,4R)-3-[(1-methylpyrazol-4-yl)methylamino]-4-[6-(trifluoromethyl)-3-pyridinyl]cyclopentane-1,2-diol

(1R,2S,3R,4R)-3-[(1-methylpyrazol-4-yl)methylamino]-4-[6-(trifluoromethyl)-3-pyridinyl]cyclopentane-1,2-diol (PubChem CID 71694059) has the molecular formula C16H19F3N4O2 and a molecular weight of 356.35 g/mol. Its IUPAC name is (1R,2S,3R,4R)-3-[(1-methylpyrazol-4-yl)methylamino]-4-[6-(trifluoromethyl)-3-pyridinyl]cyclopentane-1,2-diol.

Molecular Properties

Compound Name(1R,2S,3R,4R)-3-[(1-methylpyrazol-4-yl)methylamino]-4-[6-(trifluoromethyl)-3-pyridinyl]cyclopentane-1,2-diol
PubChem CID71694059
Molecular FormulaC16H19F3N4O2
Molecular Weight356.35 g/mol
Exact Mass356.15
IUPAC Name(1R,2S,3R,4R)-3-[(1-methylpyrazol-4-yl)methylamino]-4-[6-(trifluoromethyl)-3-pyridinyl]cyclopentane-1,2-diol
SMILESCn1cc(CN[C@H]2[C@H](O)[C@H](O)C[C@@H]2c2ccc(C(F)(F)F)nc2)cn1
InChIInChI=1S/C16H19F3N4O2/c1-23-8-9(6-22-23)5-21-14-11(4-12(24)15(14)25)10-2-3-13(20-7-10)16(17,18)19/h2-3,6-8,11-12,14-15,21,24-25H,4-5H2,1H3/t11-,12-,14-,15-/m1/s1
InChIKeyIYTFXVMFRKOASV-QHSBEEBCSA-N
XLogP1.20
TPSA83.20 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.35
LogP ≤ 51.20
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(1R,2S,3R,5R)-2,3-dihydroxy-5-[6-(trifluoromethyl)-3-pyridinyl]cyclopentyl]acetamide
CID 71693978
N-[(1R,2S,3R,5R)-2,3-dihydroxy-5-[6-(trifluoromethyl)-3-pyridinyl]cyclopentyl]-2-methylpropanamide
CID 71693984
(1R,2S,3R,5R)-3-[(4-fluorophenyl)methylamino]-5-[(4-pyridin-3-yltriazol-1-yl)methyl]cyclopentane-1,2-diol
CID 75529396
(1R,2S,3R,4R)-4-pyridin-3-yl-3-[[3-(trifluoromethyl)phenyl]methylamino]cyclopentane-1,2-diol
CID 75536114
3-[[[(1R,2S,3R,5R)-2,3-dihydroxy-5-[6-(trifluoromethyl)-3-pyridinyl]cyclopentyl]amino]methyl]benzonitrile
CID 75536119
(1R,2S,3R,4R)-3-[(1-methylpyrazol-4-yl)methylamino]-4-(6-morpholin-4-yl-3-pyridinyl)cyclopentane-1,2-diol
CID 75536132
(1R,2S,3R,4R)-3-(2-methylpropylamino)-4-pyridin-4-ylcyclopentane-1,2-diol
CID 71693840
(1R,2S,3R,5R)-3-(oxan-4-ylamino)-5-[(4-pyridin-3-yltriazol-1-yl)methyl]cyclopentane-1,2-diol
CID 75529395
(1R,2S,5R)-3-amino-5-[(4-pyridin-3-yltriazol-1-yl)methyl]cyclopentane-1,2-diol
CID 75529606
N-[(1R,2S,3R,5R)-2,3-dihydroxy-5-pyridin-3-ylcyclopentyl]-2-ethyl-5-methylpyrazole-3-carboxamide
CID 75536064
N-[(1R,2S,3R,5R)-2,3-dihydroxy-5-pyridin-3-ylcyclopentyl]-2,5-dimethylpyrazole-3-carboxamide
CID 75536078
N-[(1R,2S,3R,5R)-2,3-dihydroxy-5-pyridin-3-ylcyclopentyl]-1,5-dimethylpyrazole-3-carboxamide
CID 75536080

Frequently Asked Questions

What is the IUPAC name of (1R,2S,3R,4R)-3-[(1-methylpyrazol-4-yl)methylamino]-4-[6-(trifluoromethyl)-3-pyridinyl]cyclopentane-1,2-diol?
The IUPAC name of (1R,2S,3R,4R)-3-[(1-methylpyrazol-4-yl)methylamino]-4-[6-(trifluoromethyl)-3-pyridinyl]cyclopentane-1,2-diol (CID 71694059) is (1R,2S,3R,4R)-3-[(1-methylpyrazol-4-yl)methylamino]-4-[6-(trifluoromethyl)-3-pyridinyl]cyclopentane-1,2-diol.
What is the SMILES notation for (1R,2S,3R,4R)-3-[(1-methylpyrazol-4-yl)methylamino]-4-[6-(trifluoromethyl)-3-pyridinyl]cyclopentane-1,2-diol?
The canonical SMILES for (1R,2S,3R,4R)-3-[(1-methylpyrazol-4-yl)methylamino]-4-[6-(trifluoromethyl)-3-pyridinyl]cyclopentane-1,2-diol is Cn1cc(CN[C@H]2[C@H](O)[C@H](O)C[C@@H]2c2ccc(C(F)(F)F)nc2)cn1.
What is the InChIKey of (1R,2S,3R,4R)-3-[(1-methylpyrazol-4-yl)methylamino]-4-[6-(trifluoromethyl)-3-pyridinyl]cyclopentane-1,2-diol?
The InChIKey is IYTFXVMFRKOASV-QHSBEEBCSA-N. The full InChI is InChI=1S/C16H19F3N4O2/c1-23-8-9(6-22-23)5-21-14-11(4-12(24)15(14)25)10-2-3-13(20-7-10)16(17,18)19/h2-3,6-8,11-12,14-15,21,24-25H,4-5H2,1H3/t11-,12-,14-,15-/m1/s1.
What are the key properties of (1R,2S,3R,4R)-3-[(1-methylpyrazol-4-yl)methylamino]-4-[6-(trifluoromethyl)-3-pyridinyl]cyclopentane-1,2-diol?
(1R,2S,3R,4R)-3-[(1-methylpyrazol-4-yl)methylamino]-4-[6-(trifluoromethyl)-3-pyridinyl]cyclopentane-1,2-diol has a molecular weight of 356.35 g/mol, XLogP of 1.20, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2S,3R,4R)-3-[(1-methylpyrazol-4-yl)methylamino]-4-[6-(trifluoromethyl)-3-pyridinyl]cyclopentane-1,2-diol is sourced from PubChem (CID 71694059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).