(1R)-1-cyclopentyl-N-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methyl]ethanamine

C14H25N3O — CID 104860862

IUPAC(1R)-1-cyclopentyl-N-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methyl]ethanamine
SMILESCOc1c(CN[C@H](C)C2CCCC2)c(C)nn1C
InChIInChI=1S/C14H25N3O/c1-10(12-7-5-6-8-12)15-9-13-11(2)16-17(3)14(13)18-4/h10,12,15H,5-9H2,1-4H3/t10-/m1/s1
InChIKeyKSCLNESZLHWAAS-SNVBAGLBSA-N
MW251.37 g/mol
LogP2.41
Rot. Bonds5

About (1R)-1-cyclopentyl-N-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methyl]ethanamine

(1R)-1-cyclopentyl-N-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methyl]ethanamine (PubChem CID 104860862) has the molecular formula C14H25N3O and a molecular weight of 251.37 g/mol. Its IUPAC name is (1R)-1-cyclopentyl-N-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methyl]ethanamine.

Molecular Properties

Compound Name(1R)-1-cyclopentyl-N-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methyl]ethanamine
PubChem CID104860862
Molecular FormulaC14H25N3O
Molecular Weight251.37 g/mol
Exact Mass251.20
IUPAC Name(1R)-1-cyclopentyl-N-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methyl]ethanamine
SMILESCOc1c(CN[C@H](C)C2CCCC2)c(C)nn1C
InChIInChI=1S/C14H25N3O/c1-10(12-7-5-6-8-12)15-9-13-11(2)16-17(3)14(13)18-4/h10,12,15H,5-9H2,1-4H3/t10-/m1/s1
InChIKeyKSCLNESZLHWAAS-SNVBAGLBSA-N
XLogP2.41
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.37
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(5-methoxy-1,3-dimethyl-1H-pyrazol-4-yl)methanamine
CID 28965606
N-cyclopentyl-2-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methylamino]propanamide
CID 53542105
N-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methyl]-3-(trifluoromethyl)cyclohexan-1-amine
CID 115600694
5-(2-Cyclopentylethoxy)-1,3,4-trimethylpyrazole
CID 119052331
1-[(5-Methoxy-1,3-dimethylpyrazol-4-yl)methyl]-3-[4-(trifluoromethyl)cyclohexyl]urea
CID 75478232
2,2,3,3-tetrafluoro-N-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methyl]propan-1-amine
CID 99834464
N-[2,2,2-trifluoro-1-(5-methoxy-1,3-dimethylpyrazol-4-yl)ethyl]propan-1-amine
CID 104324187
4,4,4-trifluoro-N-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methyl]butan-2-amine
CID 104705500
(1R)-3,3,3-trifluoro-1-(5-methoxy-1,3-dimethylpyrazol-4-yl)propan-1-amine
CID 104941051
(1S)-3,3,3-trifluoro-1-(5-methoxy-1,3-dimethylpyrazol-4-yl)propan-1-amine
CID 104941059
N-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methyl]-1-(trifluoromethyl)cyclopropan-1-amine
CID 106210900
1-(5-methoxy-1,3-dimethylpyrazol-4-yl)-N-(2,2,2-trifluoroethyl)ethane-1,2-diamine
CID 113463436

Frequently Asked Questions

What is the IUPAC name of (1R)-1-cyclopentyl-N-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methyl]ethanamine?
The IUPAC name of (1R)-1-cyclopentyl-N-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methyl]ethanamine (CID 104860862) is (1R)-1-cyclopentyl-N-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methyl]ethanamine.
What is the SMILES notation for (1R)-1-cyclopentyl-N-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methyl]ethanamine?
The canonical SMILES for (1R)-1-cyclopentyl-N-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methyl]ethanamine is COc1c(CN[C@H](C)C2CCCC2)c(C)nn1C.
What is the InChIKey of (1R)-1-cyclopentyl-N-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methyl]ethanamine?
The InChIKey is KSCLNESZLHWAAS-SNVBAGLBSA-N. The full InChI is InChI=1S/C14H25N3O/c1-10(12-7-5-6-8-12)15-9-13-11(2)16-17(3)14(13)18-4/h10,12,15H,5-9H2,1-4H3/t10-/m1/s1.
What are the key properties of (1R)-1-cyclopentyl-N-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methyl]ethanamine?
(1R)-1-cyclopentyl-N-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methyl]ethanamine has a molecular weight of 251.37 g/mol, XLogP of 2.41, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-cyclopentyl-N-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methyl]ethanamine is sourced from PubChem (CID 104860862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).