methyl 1-methyl-3-(pyrrolidin-1-ylmethyl)pyrazole-4-carboxylate

C11H17N3O2 — CID 132585947

IUPACmethyl 1-methyl-3-(pyrrolidin-1-ylmethyl)pyrazole-4-carboxylate
SMILESCOC(=O)c1cn(C)nc1CN1CCCC1
InChIInChI=1S/C11H17N3O2/c1-13-7-9(11(15)16-2)10(12-13)8-14-5-3-4-6-14/h7H,3-6,8H2,1-2H3
InChIKeyKIYYBIZKONQBMS-UHFFFAOYSA-N
MW223.28 g/mol
LogP0.80
Rot. Bonds3

About methyl 1-methyl-3-(pyrrolidin-1-ylmethyl)pyrazole-4-carboxylate

methyl 1-methyl-3-(pyrrolidin-1-ylmethyl)pyrazole-4-carboxylate (PubChem CID 132585947) has the molecular formula C11H17N3O2 and a molecular weight of 223.28 g/mol. Its IUPAC name is methyl 1-methyl-3-(pyrrolidin-1-ylmethyl)pyrazole-4-carboxylate.

Molecular Properties

Compound Namemethyl 1-methyl-3-(pyrrolidin-1-ylmethyl)pyrazole-4-carboxylate
PubChem CID132585947
Molecular FormulaC11H17N3O2
Molecular Weight223.28 g/mol
Exact Mass223.13
IUPAC Namemethyl 1-methyl-3-(pyrrolidin-1-ylmethyl)pyrazole-4-carboxylate
SMILESCOC(=O)c1cn(C)nc1CN1CCCC1
InChIInChI=1S/C11H17N3O2/c1-13-7-9(11(15)16-2)10(12-13)8-14-5-3-4-6-14/h7H,3-6,8H2,1-2H3
InChIKeyKIYYBIZKONQBMS-UHFFFAOYSA-N
XLogP0.80
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.28
LogP ≤ 50.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-methyl-3-(2-pyrrolidin-1-ylethyl)pyrazole-4-carboxylic acid
CID 83823040
methyl 1,3-dimethylpyrazole-4-carboxylate
CID 12654287
1-[(4-bromo-1-methylpyrazol-3-yl)methyl]piperidine
CID 131212413
methyl 2-(azepan-1-ylmethyl)benzoate
CID 28748836
methyl 5-bromo-2-(piperidin-1-ylmethyl)furan-3-carboxylate
CID 134159328
methyl 2-(azepan-1-ylmethyl)furan-3-carboxylate
CID 51075342
1,3-dimethyl-N-[4-(piperidin-1-ylmethyl)phenyl]pyrazole-4-carboxamide
CID 19474862
methyl 4-(azocan-1-ylmethyl)benzoate
CID 28829596
methyl 2-[(4-methylazepan-1-yl)methyl]pyridine-3-carboxylate
CID 114198518
methyl 2-[(4-ethylpiperazin-1-yl)methyl]pyridine-3-carboxylate
CID 114198428
methyl 2-(2-piperidin-1-ylethyl)imidazo[1,2-a]pyridine-8-carboxylate
CID 117137830
methyl 3-(pyrrolidin-1-ylmethyl)imidazo[1,2-a]pyridine-8-carboxylate
CID 117256875

Frequently Asked Questions

What is the IUPAC name of methyl 1-methyl-3-(pyrrolidin-1-ylmethyl)pyrazole-4-carboxylate?
The IUPAC name of methyl 1-methyl-3-(pyrrolidin-1-ylmethyl)pyrazole-4-carboxylate (CID 132585947) is methyl 1-methyl-3-(pyrrolidin-1-ylmethyl)pyrazole-4-carboxylate.
What is the SMILES notation for methyl 1-methyl-3-(pyrrolidin-1-ylmethyl)pyrazole-4-carboxylate?
The canonical SMILES for methyl 1-methyl-3-(pyrrolidin-1-ylmethyl)pyrazole-4-carboxylate is COC(=O)c1cn(C)nc1CN1CCCC1.
What is the InChIKey of methyl 1-methyl-3-(pyrrolidin-1-ylmethyl)pyrazole-4-carboxylate?
The InChIKey is KIYYBIZKONQBMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O2/c1-13-7-9(11(15)16-2)10(12-13)8-14-5-3-4-6-14/h7H,3-6,8H2,1-2H3.
What are the key properties of methyl 1-methyl-3-(pyrrolidin-1-ylmethyl)pyrazole-4-carboxylate?
methyl 1-methyl-3-(pyrrolidin-1-ylmethyl)pyrazole-4-carboxylate has a molecular weight of 223.28 g/mol, XLogP of 0.80, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-methyl-3-(pyrrolidin-1-ylmethyl)pyrazole-4-carboxylate is sourced from PubChem (CID 132585947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).