trans-(1R,2R)-4-(pyrazol-1-ylmethyl)-2-[(1-pyridin-2-ylpiperidin-4-yl)amino]cyclopentan-1-ol

C19H27N5O — CID 146113945

IUPACtrans-(1R,2R)-4-(pyrazol-1-ylmethyl)-2-[(1-pyridin-2-ylpiperidin-4-yl)amino]cyclopentan-1-ol
SMILESO[C@@H]1CC(Cn2cccn2)C[C@H]1NC1CCN(c2ccccn2)CC1
InChIInChI=1S/C19H27N5O/c25-18-13-15(14-24-9-3-8-21-24)12-17(18)22-16-5-10-23(11-6-16)19-4-1-2-7-20-19/h1-4,7-9,15-18,22,25H,5-6,10-14H2/t15?,17-,18-/m1/s1
InChIKeyPMJCFDQDNONPOR-HSFDIDPMSA-N
MW341.46 g/mol
LogP1.68
Rot. Bonds5

About trans-(1R,2R)-4-(pyrazol-1-ylmethyl)-2-[(1-pyridin-2-ylpiperidin-4-yl)amino]cyclopentan-1-ol

trans-(1R,2R)-4-(pyrazol-1-ylmethyl)-2-[(1-pyridin-2-ylpiperidin-4-yl)amino]cyclopentan-1-ol (PubChem CID 146113945) has the molecular formula C19H27N5O and a molecular weight of 341.46 g/mol. Its IUPAC name is trans-(1R,2R)-4-(pyrazol-1-ylmethyl)-2-[(1-pyridin-2-ylpiperidin-4-yl)amino]cyclopentan-1-ol.

Molecular Properties

Compound Nametrans-(1R,2R)-4-(pyrazol-1-ylmethyl)-2-[(1-pyridin-2-ylpiperidin-4-yl)amino]cyclopentan-1-ol
PubChem CID146113945
Molecular FormulaC19H27N5O
Molecular Weight341.46 g/mol
Exact Mass341.22
IUPAC Nametrans-(1R,2R)-4-(pyrazol-1-ylmethyl)-2-[(1-pyridin-2-ylpiperidin-4-yl)amino]cyclopentan-1-ol
SMILESO[C@@H]1CC(Cn2cccn2)C[C@H]1NC1CCN(c2ccccn2)CC1
InChIInChI=1S/C19H27N5O/c25-18-13-15(14-24-9-3-8-21-24)12-17(18)22-16-5-10-23(11-6-16)19-4-1-2-7-20-19/h1-4,7-9,15-18,22,25H,5-6,10-14H2/t15?,17-,18-/m1/s1
InChIKeyPMJCFDQDNONPOR-HSFDIDPMSA-N
XLogP1.68
TPSA66.21 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.46
LogP ≤ 51.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze trans-(1R,2R)-4-(pyrazol-1-ylmethyl)-2-[(1-pyridin-2-ylpiperidin-4-yl)amino]cyclopentan-1-ol with MolForge

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Launch Full Analysis

Related Compounds

N-(2-propylcyclopropyl)-1-pyridin-2-ylpiperidin-4-amine
CID 103902772
trans-(1R,2R)-2-[[1-[(3-methoxyphenyl)methyl]piperidin-4-yl]amino]-4-(pyrazol-1-ylmethyl)cyclopentan-1-ol
CID 154793796
N-(4-ethylcyclohexyl)-1-pyridin-2-ylpiperidin-4-amine
CID 43675378
N-(2,3-dimethylcyclohexyl)-1-pyridin-2-ylpiperidin-4-amine
CID 43765340
[2-[[(1R,2R)-2-hydroxy-4-(pyrazol-1-ylmethyl)cyclopentyl]amino]-3-pyridinyl]-pyrrolidin-1-ylmethanone
CID 154798355
N-[(1R,2R)-2-hydroxy-4-(pyrazol-1-ylmethyl)cyclopentyl]isoquinoline-1-carboxamide
CID 166286123
N-(oxepan-4-yl)-1-pyridin-2-ylpiperidin-4-amine
CID 65082180
N-[(1R,2R)-2-hydroxy-4-(pyrazol-1-ylmethyl)cyclopentyl]isoquinoline-3-carboxamide
CID 166286067
1,1-difluoro-3-[(1-pyridin-2-ylpiperidin-4-yl)amino]propan-2-ol
CID 103787981
N-(cyclohex-3-en-1-ylmethyl)-1-pyridin-2-ylpiperidin-4-amine
CID 43675354
(2R)-2-[(1-pyridin-2-ylpiperidin-4-yl)amino]propan-1-ol
CID 113260445
2-(cyclopropylmethylamino)-N-(1-pyridin-2-ylpiperidin-4-yl)acetamide
CID 60867246

Frequently Asked Questions

What is the IUPAC name of trans-(1R,2R)-4-(pyrazol-1-ylmethyl)-2-[(1-pyridin-2-ylpiperidin-4-yl)amino]cyclopentan-1-ol?
The IUPAC name of trans-(1R,2R)-4-(pyrazol-1-ylmethyl)-2-[(1-pyridin-2-ylpiperidin-4-yl)amino]cyclopentan-1-ol (CID 146113945) is trans-(1R,2R)-4-(pyrazol-1-ylmethyl)-2-[(1-pyridin-2-ylpiperidin-4-yl)amino]cyclopentan-1-ol.
What is the SMILES notation for trans-(1R,2R)-4-(pyrazol-1-ylmethyl)-2-[(1-pyridin-2-ylpiperidin-4-yl)amino]cyclopentan-1-ol?
The canonical SMILES for trans-(1R,2R)-4-(pyrazol-1-ylmethyl)-2-[(1-pyridin-2-ylpiperidin-4-yl)amino]cyclopentan-1-ol is O[C@@H]1CC(Cn2cccn2)C[C@H]1NC1CCN(c2ccccn2)CC1.
What is the InChIKey of trans-(1R,2R)-4-(pyrazol-1-ylmethyl)-2-[(1-pyridin-2-ylpiperidin-4-yl)amino]cyclopentan-1-ol?
The InChIKey is PMJCFDQDNONPOR-HSFDIDPMSA-N. The full InChI is InChI=1S/C19H27N5O/c25-18-13-15(14-24-9-3-8-21-24)12-17(18)22-16-5-10-23(11-6-16)19-4-1-2-7-20-19/h1-4,7-9,15-18,22,25H,5-6,10-14H2/t15?,17-,18-/m1/s1.
What are the key properties of trans-(1R,2R)-4-(pyrazol-1-ylmethyl)-2-[(1-pyridin-2-ylpiperidin-4-yl)amino]cyclopentan-1-ol?
trans-(1R,2R)-4-(pyrazol-1-ylmethyl)-2-[(1-pyridin-2-ylpiperidin-4-yl)amino]cyclopentan-1-ol has a molecular weight of 341.46 g/mol, XLogP of 1.68, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1R,2R)-4-(pyrazol-1-ylmethyl)-2-[(1-pyridin-2-ylpiperidin-4-yl)amino]cyclopentan-1-ol is sourced from PubChem (CID 146113945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).