trans-(1R,2R)-2-[[6-(2-methylpropyl)-3-pyridinyl]methylamino]-4-(pyrazol-1-ylmethyl)cyclopentan-1-ol

C19H28N4O — CID 154803195

IUPACtrans-(1R,2R)-2-[[6-(2-methylpropyl)-3-pyridinyl]methylamino]-4-(pyrazol-1-ylmethyl)cyclopentan-1-ol
SMILESCC(C)Cc1ccc(CN[C@@H]2CC(Cn3cccn3)C[C@H]2O)cn1
InChIInChI=1S/C19H28N4O/c1-14(2)8-17-5-4-15(11-20-17)12-21-18-9-16(10-19(18)24)13-23-7-3-6-22-23/h3-7,11,14,16,18-19,21,24H,8-10,12-13H2,1-2H3/t16?,18-,19-/m1/s1
InChIKeyBRJCDWNTVPGCOI-VOBHOPKGSA-N
MW328.46 g/mol
LogP2.41
Rot. Bonds7

About trans-(1R,2R)-2-[[6-(2-methylpropyl)-3-pyridinyl]methylamino]-4-(pyrazol-1-ylmethyl)cyclopentan-1-ol

trans-(1R,2R)-2-[[6-(2-methylpropyl)-3-pyridinyl]methylamino]-4-(pyrazol-1-ylmethyl)cyclopentan-1-ol (PubChem CID 154803195) has the molecular formula C19H28N4O and a molecular weight of 328.46 g/mol. Its IUPAC name is trans-(1R,2R)-2-[[6-(2-methylpropyl)-3-pyridinyl]methylamino]-4-(pyrazol-1-ylmethyl)cyclopentan-1-ol.

Molecular Properties

Compound Nametrans-(1R,2R)-2-[[6-(2-methylpropyl)-3-pyridinyl]methylamino]-4-(pyrazol-1-ylmethyl)cyclopentan-1-ol
PubChem CID154803195
Molecular FormulaC19H28N4O
Molecular Weight328.46 g/mol
Exact Mass328.23
IUPAC Nametrans-(1R,2R)-2-[[6-(2-methylpropyl)-3-pyridinyl]methylamino]-4-(pyrazol-1-ylmethyl)cyclopentan-1-ol
SMILESCC(C)Cc1ccc(CN[C@@H]2CC(Cn3cccn3)C[C@H]2O)cn1
InChIInChI=1S/C19H28N4O/c1-14(2)8-17-5-4-15(11-20-17)12-21-18-9-16(10-19(18)24)13-23-7-3-6-22-23/h3-7,11,14,16,18-19,21,24H,8-10,12-13H2,1-2H3/t16?,18-,19-/m1/s1
InChIKeyBRJCDWNTVPGCOI-VOBHOPKGSA-N
XLogP2.41
TPSA62.97 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.46
LogP ≤ 52.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

trans-(1R,2R)-2-[3-(6-methyl-3-pyridinyl)propylamino]-4-(pyrazol-1-ylmethyl)cyclopentan-1-ol
CID 146113142
trans-(1R,2R)-2-(3,4-dihydro-1H-isochromen-6-ylmethylamino)-4-(pyrazol-1-ylmethyl)cyclopentan-1-ol
CID 146112411
trans-(1R,2R)-2-[[(E)-2-methyl-3-phenylprop-2-enyl]amino]-4-(pyrazol-1-ylmethyl)cyclopentan-1-ol
CID 166285878
6-[[[(1R,2R)-2-hydroxy-4-(pyrazol-1-ylmethyl)cyclopentyl]amino]methyl]-4H-1,4-benzoxazin-3-one
CID 146113143
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
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)-2-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methylamino]-4-(pyrazol-1-ylmethyl)cyclopentan-1-ol
CID 166285880
trans-(1R,2R)-2-[(4-fluoro-1H-indol-2-yl)methylamino]-4-(pyrazol-1-ylmethyl)cyclopentan-1-ol
CID 146153809
(2R,3R)-2-methyl-N-[[6-(2-methylpropyl)-3-pyridinyl]methyl]-1,1-dioxothiolan-3-amine
CID 167972158
trans-(1R,2R)-2-[(3-chloro-4-methyl-2-pyridinyl)amino]-4-(pyrazol-1-ylmethyl)cyclopentan-1-ol
CID 167781265
trans-(1R,2R)-2-[(6-methoxy-4-methyl-1H-indol-2-yl)methylamino]-4-(pyrazol-1-ylmethyl)cyclopentan-1-ol
CID 167850465
trans-(1R,2R)-2-[(3-bromo-4-pyridinyl)amino]-4-(pyrazol-1-ylmethyl)cyclopentan-1-ol
CID 146153878

Frequently Asked Questions

What is the IUPAC name of trans-(1R,2R)-2-[[6-(2-methylpropyl)-3-pyridinyl]methylamino]-4-(pyrazol-1-ylmethyl)cyclopentan-1-ol?
The IUPAC name of trans-(1R,2R)-2-[[6-(2-methylpropyl)-3-pyridinyl]methylamino]-4-(pyrazol-1-ylmethyl)cyclopentan-1-ol (CID 154803195) is trans-(1R,2R)-2-[[6-(2-methylpropyl)-3-pyridinyl]methylamino]-4-(pyrazol-1-ylmethyl)cyclopentan-1-ol.
What is the SMILES notation for trans-(1R,2R)-2-[[6-(2-methylpropyl)-3-pyridinyl]methylamino]-4-(pyrazol-1-ylmethyl)cyclopentan-1-ol?
The canonical SMILES for trans-(1R,2R)-2-[[6-(2-methylpropyl)-3-pyridinyl]methylamino]-4-(pyrazol-1-ylmethyl)cyclopentan-1-ol is CC(C)Cc1ccc(CN[C@@H]2CC(Cn3cccn3)C[C@H]2O)cn1.
What is the InChIKey of trans-(1R,2R)-2-[[6-(2-methylpropyl)-3-pyridinyl]methylamino]-4-(pyrazol-1-ylmethyl)cyclopentan-1-ol?
The InChIKey is BRJCDWNTVPGCOI-VOBHOPKGSA-N. The full InChI is InChI=1S/C19H28N4O/c1-14(2)8-17-5-4-15(11-20-17)12-21-18-9-16(10-19(18)24)13-23-7-3-6-22-23/h3-7,11,14,16,18-19,21,24H,8-10,12-13H2,1-2H3/t16?,18-,19-/m1/s1.
What are the key properties of trans-(1R,2R)-2-[[6-(2-methylpropyl)-3-pyridinyl]methylamino]-4-(pyrazol-1-ylmethyl)cyclopentan-1-ol?
trans-(1R,2R)-2-[[6-(2-methylpropyl)-3-pyridinyl]methylamino]-4-(pyrazol-1-ylmethyl)cyclopentan-1-ol has a molecular weight of 328.46 g/mol, XLogP of 2.41, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1R,2R)-2-[[6-(2-methylpropyl)-3-pyridinyl]methylamino]-4-(pyrazol-1-ylmethyl)cyclopentan-1-ol is sourced from PubChem (CID 154803195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).