methyl 2-[(1-cyclohexylpyrazol-3-yl)methylamino]propanoate

C14H23N3O2 — CID 64800870

IUPACmethyl 2-[(1-cyclohexylpyrazol-3-yl)methylamino]propanoate
SMILESCOC(=O)C(C)NCc1ccn(C2CCCCC2)n1
InChIInChI=1S/C14H23N3O2/c1-11(14(18)19-2)15-10-12-8-9-17(16-12)13-6-4-3-5-7-13/h8-9,11,13,15H,3-7,10H2,1-2H3
InChIKeyLLRJULZXQPHZNE-UHFFFAOYSA-N
MW265.36 g/mol
LogP2.04
Rot. Bonds5

About methyl 2-[(1-cyclohexylpyrazol-3-yl)methylamino]propanoate

methyl 2-[(1-cyclohexylpyrazol-3-yl)methylamino]propanoate (PubChem CID 64800870) has the molecular formula C14H23N3O2 and a molecular weight of 265.36 g/mol. Its IUPAC name is methyl 2-[(1-cyclohexylpyrazol-3-yl)methylamino]propanoate.

Molecular Properties

Compound Namemethyl 2-[(1-cyclohexylpyrazol-3-yl)methylamino]propanoate
PubChem CID64800870
Molecular FormulaC14H23N3O2
Molecular Weight265.36 g/mol
Exact Mass265.18
IUPAC Namemethyl 2-[(1-cyclohexylpyrazol-3-yl)methylamino]propanoate
SMILESCOC(=O)C(C)NCc1ccn(C2CCCCC2)n1
InChIInChI=1S/C14H23N3O2/c1-11(14(18)19-2)15-10-12-8-9-17(16-12)13-6-4-3-5-7-13/h8-9,11,13,15H,3-7,10H2,1-2H3
InChIKeyLLRJULZXQPHZNE-UHFFFAOYSA-N
XLogP2.04
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.36
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(1-cyclopentylpyrazol-3-yl)methylamino]propanamide
CID 64800847
3-[(1-cyclopentylpyrazol-3-yl)methylamino]butanamide
CID 113349012
dimethyl 2-[(1-cyclopentylpyrazol-3-yl)methyl]propanedioate
CID 103972375
methyl 2-chloro-3-[(1-cyclopentylpyrazol-3-yl)methylamino]propanoate
CID 103491885
N-[(1-cyclopentylpyrazol-3-yl)methyl]-1-methoxypropan-2-amine
CID 64800620
N-[(1-cyclopentylpyrazol-3-yl)methyl]butan-2-amine
CID 64801770
N-[(1-cyclohexylpyrazol-3-yl)methyl]pentan-3-amine
CID 64799267
2-[(1-cyclopentylpyrazol-3-yl)methylamino]-2-methylpropanamide
CID 64800668
3-[(1-cyclopentylpyrazol-3-yl)methylamino]-2-hydroxypropanamide
CID 114154013
methyl 2-[(1-butan-2-ylpyrazol-3-yl)methylamino]propanoate
CID 64800871
4-(1-cyclohexylpyrazol-3-yl)-3-methylbutan-2-one
CID 64784583
methyl 2-[(1-pentan-3-ylpyrazol-3-yl)methylamino]propanoate
CID 64801059

Frequently Asked Questions

What is the IUPAC name of methyl 2-[(1-cyclohexylpyrazol-3-yl)methylamino]propanoate?
The IUPAC name of methyl 2-[(1-cyclohexylpyrazol-3-yl)methylamino]propanoate (CID 64800870) is methyl 2-[(1-cyclohexylpyrazol-3-yl)methylamino]propanoate.
What is the SMILES notation for methyl 2-[(1-cyclohexylpyrazol-3-yl)methylamino]propanoate?
The canonical SMILES for methyl 2-[(1-cyclohexylpyrazol-3-yl)methylamino]propanoate is COC(=O)C(C)NCc1ccn(C2CCCCC2)n1.
What is the InChIKey of methyl 2-[(1-cyclohexylpyrazol-3-yl)methylamino]propanoate?
The InChIKey is LLRJULZXQPHZNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O2/c1-11(14(18)19-2)15-10-12-8-9-17(16-12)13-6-4-3-5-7-13/h8-9,11,13,15H,3-7,10H2,1-2H3.
What are the key properties of methyl 2-[(1-cyclohexylpyrazol-3-yl)methylamino]propanoate?
methyl 2-[(1-cyclohexylpyrazol-3-yl)methylamino]propanoate has a molecular weight of 265.36 g/mol, XLogP of 2.04, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(1-cyclohexylpyrazol-3-yl)methylamino]propanoate is sourced from PubChem (CID 64800870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).