methyl 1-amino-3-(4-methylpyrazol-1-yl)cyclopentane-1-carboxylate

C11H17N3O2 — CID 79651037

IUPACmethyl 1-amino-3-(4-methylpyrazol-1-yl)cyclopentane-1-carboxylate
SMILESCOC(=O)C1(N)CCC(n2cc(C)cn2)C1
InChIInChI=1S/C11H17N3O2/c1-8-6-13-14(7-8)9-3-4-11(12,5-9)10(15)16-2/h6-7,9H,3-5,12H2,1-2H3
InChIKeyHPZBJIFCGZXIBD-UHFFFAOYSA-N
MW223.28 g/mol
LogP0.79
Rot. Bonds2

About methyl 1-amino-3-(4-methylpyrazol-1-yl)cyclopentane-1-carboxylate

methyl 1-amino-3-(4-methylpyrazol-1-yl)cyclopentane-1-carboxylate (PubChem CID 79651037) has the molecular formula C11H17N3O2 and a molecular weight of 223.28 g/mol. Its IUPAC name is methyl 1-amino-3-(4-methylpyrazol-1-yl)cyclopentane-1-carboxylate.

Molecular Properties

Compound Namemethyl 1-amino-3-(4-methylpyrazol-1-yl)cyclopentane-1-carboxylate
PubChem CID79651037
Molecular FormulaC11H17N3O2
Molecular Weight223.28 g/mol
Exact Mass223.13
IUPAC Namemethyl 1-amino-3-(4-methylpyrazol-1-yl)cyclopentane-1-carboxylate
SMILESCOC(=O)C1(N)CCC(n2cc(C)cn2)C1
InChIInChI=1S/C11H17N3O2/c1-8-6-13-14(7-8)9-3-4-11(12,5-9)10(15)16-2/h6-7,9H,3-5,12H2,1-2H3
InChIKeyHPZBJIFCGZXIBD-UHFFFAOYSA-N
XLogP0.79
TPSA70.14 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.28
LogP ≤ 50.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 1-amino-3-(4-methylpyrazol-1-yl)cyclopentane-1-carboxylate?
The IUPAC name of methyl 1-amino-3-(4-methylpyrazol-1-yl)cyclopentane-1-carboxylate (CID 79651037) is methyl 1-amino-3-(4-methylpyrazol-1-yl)cyclopentane-1-carboxylate.
What is the SMILES notation for methyl 1-amino-3-(4-methylpyrazol-1-yl)cyclopentane-1-carboxylate?
The canonical SMILES for methyl 1-amino-3-(4-methylpyrazol-1-yl)cyclopentane-1-carboxylate is COC(=O)C1(N)CCC(n2cc(C)cn2)C1.
What is the InChIKey of methyl 1-amino-3-(4-methylpyrazol-1-yl)cyclopentane-1-carboxylate?
The InChIKey is HPZBJIFCGZXIBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O2/c1-8-6-13-14(7-8)9-3-4-11(12,5-9)10(15)16-2/h6-7,9H,3-5,12H2,1-2H3.
What are the key properties of methyl 1-amino-3-(4-methylpyrazol-1-yl)cyclopentane-1-carboxylate?
methyl 1-amino-3-(4-methylpyrazol-1-yl)cyclopentane-1-carboxylate has a molecular weight of 223.28 g/mol, XLogP of 0.79, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-amino-3-(4-methylpyrazol-1-yl)cyclopentane-1-carboxylate is sourced from PubChem (CID 79651037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).