(1R,2S,3R,4R)-3-[(1-methylpyrazol-4-yl)methylamino]-4-pyridin-3-ylcyclopentane-1,2-diol

C15H20N4O2 — CID 75536117

IUPAC(1R,2S,3R,4R)-3-[(1-methylpyrazol-4-yl)methylamino]-4-pyridin-3-ylcyclopentane-1,2-diol
SMILESCn1cc(CN[C@H]2[C@H](O)[C@H](O)C[C@@H]2c2cccnc2)cn1
InChIInChI=1S/C15H20N4O2/c1-19-9-10(7-18-19)6-17-14-12(5-13(20)15(14)21)11-3-2-4-16-8-11/h2-4,7-9,12-15,17,20-21H,5-6H2,1H3/t12-,13-,14-,15-/m1/s1
InChIKeyXKKMGXYTUDUNAI-KBUPBQIOSA-N
MW288.35 g/mol
LogP0.18
Rot. Bonds4

About (1R,2S,3R,4R)-3-[(1-methylpyrazol-4-yl)methylamino]-4-pyridin-3-ylcyclopentane-1,2-diol

(1R,2S,3R,4R)-3-[(1-methylpyrazol-4-yl)methylamino]-4-pyridin-3-ylcyclopentane-1,2-diol (PubChem CID 75536117) has the molecular formula C15H20N4O2 and a molecular weight of 288.35 g/mol. Its IUPAC name is (1R,2S,3R,4R)-3-[(1-methylpyrazol-4-yl)methylamino]-4-pyridin-3-ylcyclopentane-1,2-diol.

Molecular Properties

Compound Name(1R,2S,3R,4R)-3-[(1-methylpyrazol-4-yl)methylamino]-4-pyridin-3-ylcyclopentane-1,2-diol
PubChem CID75536117
Molecular FormulaC15H20N4O2
Molecular Weight288.35 g/mol
Exact Mass288.16
IUPAC Name(1R,2S,3R,4R)-3-[(1-methylpyrazol-4-yl)methylamino]-4-pyridin-3-ylcyclopentane-1,2-diol
SMILESCn1cc(CN[C@H]2[C@H](O)[C@H](O)C[C@@H]2c2cccnc2)cn1
InChIInChI=1S/C15H20N4O2/c1-19-9-10(7-18-19)6-17-14-12(5-13(20)15(14)21)11-3-2-4-16-8-11/h2-4,7-9,12-15,17,20-21H,5-6H2,1H3/t12-,13-,14-,15-/m1/s1
InChIKeyXKKMGXYTUDUNAI-KBUPBQIOSA-N
XLogP0.18
TPSA83.20 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.35
LogP ≤ 50.18
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze (1R,2S,3R,4R)-3-[(1-methylpyrazol-4-yl)methylamino]-4-pyridin-3-ylcyclopentane-1,2-diol with MolForge

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Related Compounds

(1R,2S,3R,4R)-4-pyridin-3-yl-3-[[3-(trifluoromethyl)phenyl]methylamino]cyclopentane-1,2-diol
CID 75536114
(2S,3R)-2-[(1-methylpyrazol-4-yl)methyl]-1-(pyridin-4-ylmethyl)pyrrolidin-3-ol
CID 97384241
(2S,3S)-1-[(1-methylpyrazol-4-yl)methyl]-2-(pyridin-4-ylmethyl)pyrrolidin-3-ol
CID 97384267
(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-[(1-methylpyrazol-4-yl)methylamino]-4-[6-(trifluoromethyl)-3-pyridinyl]cyclopentane-1,2-diol
CID 71694059
1-[(1R,2S,3R,5R)-2,3-dihydroxy-5-pyridin-4-ylcyclopentyl]-3-ethylurea
CID 71693798
(1R,2S,3R,4R)-3-(2-methylpropylamino)-4-pyridin-4-ylcyclopentane-1,2-diol
CID 71693840
(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-methylpropanamide
CID 75536067
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-pyridin-3-ylcyclopentane-1,2-diol?
The IUPAC name of (1R,2S,3R,4R)-3-[(1-methylpyrazol-4-yl)methylamino]-4-pyridin-3-ylcyclopentane-1,2-diol (CID 75536117) is (1R,2S,3R,4R)-3-[(1-methylpyrazol-4-yl)methylamino]-4-pyridin-3-ylcyclopentane-1,2-diol.
What is the SMILES notation for (1R,2S,3R,4R)-3-[(1-methylpyrazol-4-yl)methylamino]-4-pyridin-3-ylcyclopentane-1,2-diol?
The canonical SMILES for (1R,2S,3R,4R)-3-[(1-methylpyrazol-4-yl)methylamino]-4-pyridin-3-ylcyclopentane-1,2-diol is Cn1cc(CN[C@H]2[C@H](O)[C@H](O)C[C@@H]2c2cccnc2)cn1.
What is the InChIKey of (1R,2S,3R,4R)-3-[(1-methylpyrazol-4-yl)methylamino]-4-pyridin-3-ylcyclopentane-1,2-diol?
The InChIKey is XKKMGXYTUDUNAI-KBUPBQIOSA-N. The full InChI is InChI=1S/C15H20N4O2/c1-19-9-10(7-18-19)6-17-14-12(5-13(20)15(14)21)11-3-2-4-16-8-11/h2-4,7-9,12-15,17,20-21H,5-6H2,1H3/t12-,13-,14-,15-/m1/s1.
What are the key properties of (1R,2S,3R,4R)-3-[(1-methylpyrazol-4-yl)methylamino]-4-pyridin-3-ylcyclopentane-1,2-diol?
(1R,2S,3R,4R)-3-[(1-methylpyrazol-4-yl)methylamino]-4-pyridin-3-ylcyclopentane-1,2-diol has a molecular weight of 288.35 g/mol, XLogP of 0.18, 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-pyridin-3-ylcyclopentane-1,2-diol is sourced from PubChem (CID 75536117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).