methyl 1-(piperidin-2-ylmethyl)pyrazole-4-carboxylate

C11H17N3O2 — CID 84735437

IUPACmethyl 1-(piperidin-2-ylmethyl)pyrazole-4-carboxylate
SMILESCOC(=O)c1cnn(CC2CCCCN2)c1
InChIInChI=1S/C11H17N3O2/c1-16-11(15)9-6-13-14(7-9)8-10-4-2-3-5-12-10/h6-7,10,12H,2-5,8H2,1H3
InChIKeyRUOCJZMNEWEWAH-UHFFFAOYSA-N
MW223.28 g/mol
LogP0.81
Rot. Bonds3

About methyl 1-(piperidin-2-ylmethyl)pyrazole-4-carboxylate

methyl 1-(piperidin-2-ylmethyl)pyrazole-4-carboxylate (PubChem CID 84735437) has the molecular formula C11H17N3O2 and a molecular weight of 223.28 g/mol. Its IUPAC name is methyl 1-(piperidin-2-ylmethyl)pyrazole-4-carboxylate.

Molecular Properties

Compound Namemethyl 1-(piperidin-2-ylmethyl)pyrazole-4-carboxylate
PubChem CID84735437
Molecular FormulaC11H17N3O2
Molecular Weight223.28 g/mol
Exact Mass223.13
IUPAC Namemethyl 1-(piperidin-2-ylmethyl)pyrazole-4-carboxylate
SMILESCOC(=O)c1cnn(CC2CCCCN2)c1
InChIInChI=1S/C11H17N3O2/c1-16-11(15)9-6-13-14(7-9)8-10-4-2-3-5-12-10/h6-7,10,12H,2-5,8H2,1H3
InChIKeyRUOCJZMNEWEWAH-UHFFFAOYSA-N
XLogP0.81
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.28
LogP ≤ 50.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-ethyl-N-[[(2S)-piperidin-2-yl]methyl]pyrazole-4-carboxamide
CID 99776064
1-(1-ethylpyrazol-4-yl)-2-piperidin-2-ylethanone
CID 79539659
1-(1-ethylpyrazol-4-yl)-3-piperidin-2-ylpropan-1-one
CID 116563541
methyl 2-(piperidin-2-ylmethyl)imidazo[1,2-a]pyridine-6-carboxylate
CID 117130008
1-ethyl-N-(pyrrolidin-2-ylmethyl)pyrazole-4-carboxamide
CID 119511592
4-cyclopropyl-1-(pyrrolidin-2-ylmethyl)pyrazole
CID 84733041
methyl 1-[(1-cyclopentylpyrazol-3-yl)methyl]pyrazole-4-carboxylate
CID 163333274
2-[[4-(3-methylphenoxy)pyrazol-1-yl]methyl]piperidine
CID 117125038
1-[1-(cyclopentylmethyl)pyrazol-4-yl]ethanone
CID 62727814
2-[[4-(furan-2-yl)pyrazol-1-yl]methyl]piperidine
CID 121214008
1-tert-butyl-N-(pyrrolidin-2-ylmethyl)pyrazole-4-carboxamide;hydrochloride
CID 119510024
methyl 3-[2-[(2R)-piperidin-2-yl]ethoxy]benzoate
CID 86321177

Frequently Asked Questions

What is the IUPAC name of methyl 1-(piperidin-2-ylmethyl)pyrazole-4-carboxylate?
The IUPAC name of methyl 1-(piperidin-2-ylmethyl)pyrazole-4-carboxylate (CID 84735437) is methyl 1-(piperidin-2-ylmethyl)pyrazole-4-carboxylate.
What is the SMILES notation for methyl 1-(piperidin-2-ylmethyl)pyrazole-4-carboxylate?
The canonical SMILES for methyl 1-(piperidin-2-ylmethyl)pyrazole-4-carboxylate is COC(=O)c1cnn(CC2CCCCN2)c1.
What is the InChIKey of methyl 1-(piperidin-2-ylmethyl)pyrazole-4-carboxylate?
The InChIKey is RUOCJZMNEWEWAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O2/c1-16-11(15)9-6-13-14(7-9)8-10-4-2-3-5-12-10/h6-7,10,12H,2-5,8H2,1H3.
What are the key properties of methyl 1-(piperidin-2-ylmethyl)pyrazole-4-carboxylate?
methyl 1-(piperidin-2-ylmethyl)pyrazole-4-carboxylate has a molecular weight of 223.28 g/mol, XLogP of 0.81, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-(piperidin-2-ylmethyl)pyrazole-4-carboxylate is sourced from PubChem (CID 84735437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).