trans-(1R,2R)-2-[(1-cyclopentylpyrazol-3-yl)methylamino]-4-(imidazol-1-ylmethyl)cyclopentan-1-ol

C18H27N5O — CID 167874914

IUPACtrans-(1R,2R)-2-[(1-cyclopentylpyrazol-3-yl)methylamino]-4-(imidazol-1-ylmethyl)cyclopentan-1-ol
SMILESO[C@@H]1CC(Cn2ccnc2)C[C@H]1NCc1ccn(C2CCCC2)n1
InChIInChI=1S/C18H27N5O/c24-18-10-14(12-22-8-6-19-13-22)9-17(18)20-11-15-5-7-23(21-15)16-3-1-2-4-16/h5-8,13-14,16-18,20,24H,1-4,9-12H2/t14?,17-,18-/m1/s1
InChIKeyKFQNBNSNEQAYIW-KNHHTTPFSA-N
MW329.45 g/mol
LogP2.12
Rot. Bonds6

About trans-(1R,2R)-2-[(1-cyclopentylpyrazol-3-yl)methylamino]-4-(imidazol-1-ylmethyl)cyclopentan-1-ol

trans-(1R,2R)-2-[(1-cyclopentylpyrazol-3-yl)methylamino]-4-(imidazol-1-ylmethyl)cyclopentan-1-ol (PubChem CID 167874914) has the molecular formula C18H27N5O and a molecular weight of 329.45 g/mol. Its IUPAC name is trans-(1R,2R)-2-[(1-cyclopentylpyrazol-3-yl)methylamino]-4-(imidazol-1-ylmethyl)cyclopentan-1-ol.

Molecular Properties

Compound Nametrans-(1R,2R)-2-[(1-cyclopentylpyrazol-3-yl)methylamino]-4-(imidazol-1-ylmethyl)cyclopentan-1-ol
PubChem CID167874914
Molecular FormulaC18H27N5O
Molecular Weight329.45 g/mol
Exact Mass329.22
IUPAC Nametrans-(1R,2R)-2-[(1-cyclopentylpyrazol-3-yl)methylamino]-4-(imidazol-1-ylmethyl)cyclopentan-1-ol
SMILESO[C@@H]1CC(Cn2ccnc2)C[C@H]1NCc1ccn(C2CCCC2)n1
InChIInChI=1S/C18H27N5O/c24-18-10-14(12-22-8-6-19-13-22)9-17(18)20-11-15-5-7-23(21-15)16-3-1-2-4-16/h5-8,13-14,16-18,20,24H,1-4,9-12H2/t14?,17-,18-/m1/s1
InChIKeyKFQNBNSNEQAYIW-KNHHTTPFSA-N
XLogP2.12
TPSA67.90 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.45
LogP ≤ 52.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze trans-(1R,2R)-2-[(1-cyclopentylpyrazol-3-yl)methylamino]-4-(imidazol-1-ylmethyl)cyclopentan-1-ol with MolForge

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Related Compounds

trans-(1R,2R)-4-(imidazol-1-ylmethyl)-2-(1H-pyrrol-3-ylmethylamino)cyclopentan-1-ol
CID 167832510
2-cyclopentyl-N-[(1R,2R)-2-hydroxy-4-(imidazol-1-ylmethyl)cyclopentyl]pyrazole-3-carboxamide
CID 166286230
2-chloro-N-[(1-cyclopentylpyrazol-3-yl)methyl]cyclohexan-1-amine
CID 65025723
trans-(1R,2R)-2-[(1-benzyltriazol-4-yl)methylamino]-4-(imidazol-1-ylmethyl)cyclopentan-1-ol
CID 154797556
trans-(1R,2R)-2-[[4-[2-(dimethylamino)ethyl]phenyl]methylamino]-4-(imidazol-1-ylmethyl)cyclopentan-1-ol
CID 146112572
N-[(1-cyclohexylpyrazol-3-yl)methyl]-2-methylcyclohexan-1-amine
CID 64800246
N-[(1-cyclopentylpyrazol-3-yl)methyl]-2,4-dimethylcyclohexan-1-amine
CID 64799940
3-[[(1-cyclohexylpyrazol-3-yl)methylamino]methyl]cyclobutan-1-ol
CID 66004626
N-[(1-cyclopentylpyrazol-3-yl)methyl]-7-oxabicyclo[2.2.1]heptan-2-amine
CID 80720674
N-[(1R,2R)-2-hydroxy-4-(imidazol-1-ylmethyl)cyclopentyl]pyridine-4-carboxamide
CID 154802873
trans-(1R,2R)-4-(imidazol-1-ylmethyl)-2-[[5-(1-methylpyrazol-3-yl)-1H-pyrazol-4-yl]methylamino]cyclopentan-1-ol
CID 167814853
trans-(1R,2R)-4-(imidazol-1-ylmethyl)-2-[[1-methyl-3-(1-methylpyrazol-4-yl)pyrazol-4-yl]methylamino]cyclopentan-1-ol
CID 146112594

Frequently Asked Questions

What is the IUPAC name of trans-(1R,2R)-2-[(1-cyclopentylpyrazol-3-yl)methylamino]-4-(imidazol-1-ylmethyl)cyclopentan-1-ol?
The IUPAC name of trans-(1R,2R)-2-[(1-cyclopentylpyrazol-3-yl)methylamino]-4-(imidazol-1-ylmethyl)cyclopentan-1-ol (CID 167874914) is trans-(1R,2R)-2-[(1-cyclopentylpyrazol-3-yl)methylamino]-4-(imidazol-1-ylmethyl)cyclopentan-1-ol.
What is the SMILES notation for trans-(1R,2R)-2-[(1-cyclopentylpyrazol-3-yl)methylamino]-4-(imidazol-1-ylmethyl)cyclopentan-1-ol?
The canonical SMILES for trans-(1R,2R)-2-[(1-cyclopentylpyrazol-3-yl)methylamino]-4-(imidazol-1-ylmethyl)cyclopentan-1-ol is O[C@@H]1CC(Cn2ccnc2)C[C@H]1NCc1ccn(C2CCCC2)n1.
What is the InChIKey of trans-(1R,2R)-2-[(1-cyclopentylpyrazol-3-yl)methylamino]-4-(imidazol-1-ylmethyl)cyclopentan-1-ol?
The InChIKey is KFQNBNSNEQAYIW-KNHHTTPFSA-N. The full InChI is InChI=1S/C18H27N5O/c24-18-10-14(12-22-8-6-19-13-22)9-17(18)20-11-15-5-7-23(21-15)16-3-1-2-4-16/h5-8,13-14,16-18,20,24H,1-4,9-12H2/t14?,17-,18-/m1/s1.
What are the key properties of trans-(1R,2R)-2-[(1-cyclopentylpyrazol-3-yl)methylamino]-4-(imidazol-1-ylmethyl)cyclopentan-1-ol?
trans-(1R,2R)-2-[(1-cyclopentylpyrazol-3-yl)methylamino]-4-(imidazol-1-ylmethyl)cyclopentan-1-ol has a molecular weight of 329.45 g/mol, XLogP of 2.12, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1R,2R)-2-[(1-cyclopentylpyrazol-3-yl)methylamino]-4-(imidazol-1-ylmethyl)cyclopentan-1-ol is sourced from PubChem (CID 167874914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).