methyl 1-(1H-pyrazole-5-carbonyl)piperidine-4-carboxylate

C11H15N3O3 — CID 43623364

IUPACmethyl 1-(1H-pyrazole-5-carbonyl)piperidine-4-carboxylate
SMILESCOC(=O)C1CCN(C(=O)c2ccn[nH]2)CC1
InChIInChI=1S/C11H15N3O3/c1-17-11(16)8-3-6-14(7-4-8)10(15)9-2-5-12-13-9/h2,5,8H,3-4,6-7H2,1H3,(H,12,13)
InChIKeyBCIKXELTSBMVMA-UHFFFAOYSA-N
MW237.26 g/mol
LogP0.43
Rot. Bonds2

About methyl 1-(1H-pyrazole-5-carbonyl)piperidine-4-carboxylate

methyl 1-(1H-pyrazole-5-carbonyl)piperidine-4-carboxylate (PubChem CID 43623364) has the molecular formula C11H15N3O3 and a molecular weight of 237.26 g/mol. Its IUPAC name is methyl 1-(1H-pyrazole-5-carbonyl)piperidine-4-carboxylate.

Molecular Properties

Compound Namemethyl 1-(1H-pyrazole-5-carbonyl)piperidine-4-carboxylate
PubChem CID43623364
Molecular FormulaC11H15N3O3
Molecular Weight237.26 g/mol
Exact Mass237.11
IUPAC Namemethyl 1-(1H-pyrazole-5-carbonyl)piperidine-4-carboxylate
SMILESCOC(=O)C1CCN(C(=O)c2ccn[nH]2)CC1
InChIInChI=1S/C11H15N3O3/c1-17-11(16)8-3-6-14(7-4-8)10(15)9-2-5-12-13-9/h2,5,8H,3-4,6-7H2,1H3,(H,12,13)
InChIKeyBCIKXELTSBMVMA-UHFFFAOYSA-N
XLogP0.43
TPSA75.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.26
LogP ≤ 50.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 1-(1H-pyrazole-5-carbonyl)piperidine-4-carboxylate?
The IUPAC name of methyl 1-(1H-pyrazole-5-carbonyl)piperidine-4-carboxylate (CID 43623364) is methyl 1-(1H-pyrazole-5-carbonyl)piperidine-4-carboxylate.
What is the SMILES notation for methyl 1-(1H-pyrazole-5-carbonyl)piperidine-4-carboxylate?
The canonical SMILES for methyl 1-(1H-pyrazole-5-carbonyl)piperidine-4-carboxylate is COC(=O)C1CCN(C(=O)c2ccn[nH]2)CC1.
What is the InChIKey of methyl 1-(1H-pyrazole-5-carbonyl)piperidine-4-carboxylate?
The InChIKey is BCIKXELTSBMVMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O3/c1-17-11(16)8-3-6-14(7-4-8)10(15)9-2-5-12-13-9/h2,5,8H,3-4,6-7H2,1H3,(H,12,13).
What are the key properties of methyl 1-(1H-pyrazole-5-carbonyl)piperidine-4-carboxylate?
methyl 1-(1H-pyrazole-5-carbonyl)piperidine-4-carboxylate has a molecular weight of 237.26 g/mol, XLogP of 0.43, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-(1H-pyrazole-5-carbonyl)piperidine-4-carboxylate is sourced from PubChem (CID 43623364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).