trans-(1R,2R)-2-[(3-chloro-4-methyl-2-pyridinyl)amino]-4-(pyrazol-1-ylmethyl)cyclopentan-1-ol

C15H19ClN4O — CID 167781265

IUPACtrans-(1R,2R)-2-[(3-chloro-4-methyl-2-pyridinyl)amino]-4-(pyrazol-1-ylmethyl)cyclopentan-1-ol
SMILESCc1ccnc(N[C@@H]2CC(Cn3cccn3)C[C@H]2O)c1Cl
InChIInChI=1S/C15H19ClN4O/c1-10-3-5-17-15(14(10)16)19-12-7-11(8-13(12)21)9-20-6-2-4-18-20/h2-6,11-13,21H,7-9H2,1H3,(H,17,19)/t11?,12-,13-/m1/s1
InChIKeyHKSLCTQZSXCOLU-VFRRUGBOSA-N
MW306.80 g/mol
LogP2.49
Rot. Bonds4

About trans-(1R,2R)-2-[(3-chloro-4-methyl-2-pyridinyl)amino]-4-(pyrazol-1-ylmethyl)cyclopentan-1-ol

trans-(1R,2R)-2-[(3-chloro-4-methyl-2-pyridinyl)amino]-4-(pyrazol-1-ylmethyl)cyclopentan-1-ol (PubChem CID 167781265) has the molecular formula C15H19ClN4O and a molecular weight of 306.80 g/mol. Its IUPAC name is trans-(1R,2R)-2-[(3-chloro-4-methyl-2-pyridinyl)amino]-4-(pyrazol-1-ylmethyl)cyclopentan-1-ol.

Molecular Properties

Compound Nametrans-(1R,2R)-2-[(3-chloro-4-methyl-2-pyridinyl)amino]-4-(pyrazol-1-ylmethyl)cyclopentan-1-ol
PubChem CID167781265
Molecular FormulaC15H19ClN4O
Molecular Weight306.80 g/mol
Exact Mass306.12
IUPAC Nametrans-(1R,2R)-2-[(3-chloro-4-methyl-2-pyridinyl)amino]-4-(pyrazol-1-ylmethyl)cyclopentan-1-ol
SMILESCc1ccnc(N[C@@H]2CC(Cn3cccn3)C[C@H]2O)c1Cl
InChIInChI=1S/C15H19ClN4O/c1-10-3-5-17-15(14(10)16)19-12-7-11(8-13(12)21)9-20-6-2-4-18-20/h2-6,11-13,21H,7-9H2,1H3,(H,17,19)/t11?,12-,13-/m1/s1
InChIKeyHKSLCTQZSXCOLU-VFRRUGBOSA-N
XLogP2.49
TPSA62.97 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.80
LogP ≤ 52.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

trans-(1R,2R)-2-[(3-fluoro-2-pyridinyl)amino]-4-(pyrazol-1-ylmethyl)cyclopentan-1-ol
CID 146113015
[2-[[(1R,2R)-2-hydroxy-4-(pyrazol-1-ylmethyl)cyclopentyl]amino]-3-pyridinyl]-pyrrolidin-1-ylmethanone
CID 154798355
2-[2-[[(1R,2R)-2-hydroxy-4-(pyrazol-1-ylmethyl)cyclopentyl]amino]pyrimidin-4-yl]acetonitrile
CID 167989621
trans-(1R,2R)-2-[(2,6-dicyclopropylpyrimidin-4-yl)amino]-4-(pyrazol-1-ylmethyl)cyclopentan-1-ol
CID 167878720
trans-(1R,2R)-2-[(3-bromo-4-pyridinyl)amino]-4-(pyrazol-1-ylmethyl)cyclopentan-1-ol
CID 146153878
N-[(1R,2R)-2-hydroxy-4-(pyrazol-1-ylmethyl)cyclopentyl]isoquinoline-1-carboxamide
CID 166286123
trans-(1R,2R)-2-[3-(6-methyl-3-pyridinyl)propylamino]-4-(pyrazol-1-ylmethyl)cyclopentan-1-ol
CID 146113142
trans-(1R,2R)-2-[[(E)-2-methyl-3-phenylprop-2-enyl]amino]-4-(pyrazol-1-ylmethyl)cyclopentan-1-ol
CID 166285878
N-[(1R,2R)-2-hydroxy-4-(pyrazol-1-ylmethyl)cyclopentyl]-2-(2-methylindol-1-yl)acetamide
CID 166286144
N-[(1R,2R)-2-hydroxy-4-(pyrazol-1-ylmethyl)cyclopentyl]-4-(2-methyl-1,2,4-triazol-3-yl)benzamide
CID 146113906
N-[(1R,2R)-2-hydroxy-4-(pyrazol-1-ylmethyl)cyclopentyl]-2-(8-methylimidazo[1,2-a]pyridin-2-yl)acetamide
CID 167791193
trans-(1R,2R)-4-(pyrazol-1-ylmethyl)-2-[[1-(pyridin-4-ylmethyl)piperidin-4-yl]amino]cyclopentan-1-ol
CID 146113946

Frequently Asked Questions

What is the IUPAC name of trans-(1R,2R)-2-[(3-chloro-4-methyl-2-pyridinyl)amino]-4-(pyrazol-1-ylmethyl)cyclopentan-1-ol?
The IUPAC name of trans-(1R,2R)-2-[(3-chloro-4-methyl-2-pyridinyl)amino]-4-(pyrazol-1-ylmethyl)cyclopentan-1-ol (CID 167781265) is trans-(1R,2R)-2-[(3-chloro-4-methyl-2-pyridinyl)amino]-4-(pyrazol-1-ylmethyl)cyclopentan-1-ol.
What is the SMILES notation for trans-(1R,2R)-2-[(3-chloro-4-methyl-2-pyridinyl)amino]-4-(pyrazol-1-ylmethyl)cyclopentan-1-ol?
The canonical SMILES for trans-(1R,2R)-2-[(3-chloro-4-methyl-2-pyridinyl)amino]-4-(pyrazol-1-ylmethyl)cyclopentan-1-ol is Cc1ccnc(N[C@@H]2CC(Cn3cccn3)C[C@H]2O)c1Cl.
What is the InChIKey of trans-(1R,2R)-2-[(3-chloro-4-methyl-2-pyridinyl)amino]-4-(pyrazol-1-ylmethyl)cyclopentan-1-ol?
The InChIKey is HKSLCTQZSXCOLU-VFRRUGBOSA-N. The full InChI is InChI=1S/C15H19ClN4O/c1-10-3-5-17-15(14(10)16)19-12-7-11(8-13(12)21)9-20-6-2-4-18-20/h2-6,11-13,21H,7-9H2,1H3,(H,17,19)/t11?,12-,13-/m1/s1.
What are the key properties of trans-(1R,2R)-2-[(3-chloro-4-methyl-2-pyridinyl)amino]-4-(pyrazol-1-ylmethyl)cyclopentan-1-ol?
trans-(1R,2R)-2-[(3-chloro-4-methyl-2-pyridinyl)amino]-4-(pyrazol-1-ylmethyl)cyclopentan-1-ol has a molecular weight of 306.80 g/mol, XLogP of 2.49, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1R,2R)-2-[(3-chloro-4-methyl-2-pyridinyl)amino]-4-(pyrazol-1-ylmethyl)cyclopentan-1-ol is sourced from PubChem (CID 167781265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).