trans-(1R,2R)-4-(imidazol-1-ylmethyl)-2-[[5-(1-methylpyrazol-3-yl)-1H-pyrazol-4-yl]methylamino]cyclopentan-1-ol

C17H23N7O — CID 167814853

IUPACtrans-(1R,2R)-4-(imidazol-1-ylmethyl)-2-[[5-(1-methylpyrazol-3-yl)-1H-pyrazol-4-yl]methylamino]cyclopentan-1-ol
SMILESCn1ccc(-c2[nH]ncc2CN[C@@H]2CC(Cn3ccnc3)C[C@H]2O)n1
InChIInChI=1S/C17H23N7O/c1-23-4-2-14(22-23)17-13(9-20-21-17)8-19-15-6-12(7-16(15)25)10-24-5-3-18-11-24/h2-5,9,11-12,15-16,19,25H,6-8,10H2,1H3,(H,20,21)/t12?,15-,16-/m1/s1
InChIKeyVABYVDCWFBVINO-XHAYOOOLSA-N
MW341.42 g/mol
LogP0.94
Rot. Bonds6

About trans-(1R,2R)-4-(imidazol-1-ylmethyl)-2-[[5-(1-methylpyrazol-3-yl)-1H-pyrazol-4-yl]methylamino]cyclopentan-1-ol

trans-(1R,2R)-4-(imidazol-1-ylmethyl)-2-[[5-(1-methylpyrazol-3-yl)-1H-pyrazol-4-yl]methylamino]cyclopentan-1-ol (PubChem CID 167814853) has the molecular formula C17H23N7O and a molecular weight of 341.42 g/mol. Its IUPAC name is trans-(1R,2R)-4-(imidazol-1-ylmethyl)-2-[[5-(1-methylpyrazol-3-yl)-1H-pyrazol-4-yl]methylamino]cyclopentan-1-ol.

Molecular Properties

Compound Nametrans-(1R,2R)-4-(imidazol-1-ylmethyl)-2-[[5-(1-methylpyrazol-3-yl)-1H-pyrazol-4-yl]methylamino]cyclopentan-1-ol
PubChem CID167814853
Molecular FormulaC17H23N7O
Molecular Weight341.42 g/mol
Exact Mass341.20
IUPAC Nametrans-(1R,2R)-4-(imidazol-1-ylmethyl)-2-[[5-(1-methylpyrazol-3-yl)-1H-pyrazol-4-yl]methylamino]cyclopentan-1-ol
SMILESCn1ccc(-c2[nH]ncc2CN[C@@H]2CC(Cn3ccnc3)C[C@H]2O)n1
InChIInChI=1S/C17H23N7O/c1-23-4-2-14(22-23)17-13(9-20-21-17)8-19-15-6-12(7-16(15)25)10-24-5-3-18-11-24/h2-5,9,11-12,15-16,19,25H,6-8,10H2,1H3,(H,20,21)/t12?,15-,16-/m1/s1
InChIKeyVABYVDCWFBVINO-XHAYOOOLSA-N
XLogP0.94
TPSA96.58 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.42
LogP ≤ 50.94
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Related Compounds

trans-(1R,2R)-4-(imidazol-1-ylmethyl)-2-[[1-methyl-3-(1-methylpyrazol-4-yl)pyrazol-4-yl]methylamino]cyclopentan-1-ol
CID 146112594
trans-(1R,2R)-4-(imidazol-1-ylmethyl)-2-(1H-pyrrol-3-ylmethylamino)cyclopentan-1-ol
CID 167832510
trans-(1R,2R)-2-[(2,5-dimethylfuran-3-yl)methylamino]-4-(imidazol-1-ylmethyl)cyclopentan-1-ol
CID 146112618
trans-(1R,2R)-2-[[4-[2-(dimethylamino)ethyl]phenyl]methylamino]-4-(imidazol-1-ylmethyl)cyclopentan-1-ol
CID 146112572
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-[(6-bromopyrazolo[1,5-a]pyrimidin-3-yl)methylamino]-4-(imidazol-1-ylmethyl)cyclopentan-1-ol
CID 167777119
trans-(1R,2R)-2-[(1-cyclopentylpyrazol-3-yl)methylamino]-4-(imidazol-1-ylmethyl)cyclopentan-1-ol
CID 167874914
trans-(1R,2R)-2-[(1-benzyltriazol-4-yl)methylamino]-4-(imidazol-1-ylmethyl)cyclopentan-1-ol
CID 154797556
trans-(1R,2R)-2-[[3-(hydroxymethyl)-4-pyridinyl]amino]-4-(imidazol-1-ylmethyl)cyclopentan-1-ol
CID 167883166
trans-(1R,2R)-2-[[5-(5-chlorofuran-2-yl)-1H-pyrazol-4-yl]methylamino]-4-[(4-chloropyrazol-1-yl)methyl]cyclopentan-1-ol
CID 167827392
1-methyl-N-[[5-(1-methylpyrazol-3-yl)-1H-pyrazol-4-yl]methyl]-8-oxa-1-azaspiro[4.5]decan-3-amine
CID 155957081
3-[[(1R,2R)-2-hydroxy-4-(imidazol-1-ylmethyl)cyclopentyl]amino]pyridine-4-carbonitrile
CID 154800415

Frequently Asked Questions

What is the IUPAC name of trans-(1R,2R)-4-(imidazol-1-ylmethyl)-2-[[5-(1-methylpyrazol-3-yl)-1H-pyrazol-4-yl]methylamino]cyclopentan-1-ol?
The IUPAC name of trans-(1R,2R)-4-(imidazol-1-ylmethyl)-2-[[5-(1-methylpyrazol-3-yl)-1H-pyrazol-4-yl]methylamino]cyclopentan-1-ol (CID 167814853) is trans-(1R,2R)-4-(imidazol-1-ylmethyl)-2-[[5-(1-methylpyrazol-3-yl)-1H-pyrazol-4-yl]methylamino]cyclopentan-1-ol.
What is the SMILES notation for trans-(1R,2R)-4-(imidazol-1-ylmethyl)-2-[[5-(1-methylpyrazol-3-yl)-1H-pyrazol-4-yl]methylamino]cyclopentan-1-ol?
The canonical SMILES for trans-(1R,2R)-4-(imidazol-1-ylmethyl)-2-[[5-(1-methylpyrazol-3-yl)-1H-pyrazol-4-yl]methylamino]cyclopentan-1-ol is Cn1ccc(-c2[nH]ncc2CN[C@@H]2CC(Cn3ccnc3)C[C@H]2O)n1.
What is the InChIKey of trans-(1R,2R)-4-(imidazol-1-ylmethyl)-2-[[5-(1-methylpyrazol-3-yl)-1H-pyrazol-4-yl]methylamino]cyclopentan-1-ol?
The InChIKey is VABYVDCWFBVINO-XHAYOOOLSA-N. The full InChI is InChI=1S/C17H23N7O/c1-23-4-2-14(22-23)17-13(9-20-21-17)8-19-15-6-12(7-16(15)25)10-24-5-3-18-11-24/h2-5,9,11-12,15-16,19,25H,6-8,10H2,1H3,(H,20,21)/t12?,15-,16-/m1/s1.
What are the key properties of trans-(1R,2R)-4-(imidazol-1-ylmethyl)-2-[[5-(1-methylpyrazol-3-yl)-1H-pyrazol-4-yl]methylamino]cyclopentan-1-ol?
trans-(1R,2R)-4-(imidazol-1-ylmethyl)-2-[[5-(1-methylpyrazol-3-yl)-1H-pyrazol-4-yl]methylamino]cyclopentan-1-ol has a molecular weight of 341.42 g/mol, XLogP of 0.94, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1R,2R)-4-(imidazol-1-ylmethyl)-2-[[5-(1-methylpyrazol-3-yl)-1H-pyrazol-4-yl]methylamino]cyclopentan-1-ol is sourced from PubChem (CID 167814853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).