methyl 3-cyclopropyl-1-(oxan-4-ylmethyl)pyrazole-5-carboxylate

C14H20N2O3 — CID 166528856

IUPACmethyl 3-cyclopropyl-1-(oxan-4-ylmethyl)pyrazole-5-carboxylate
SMILESCOC(=O)c1cc(C2CC2)nn1CC1CCOCC1
InChIInChI=1S/C14H20N2O3/c1-18-14(17)13-8-12(11-2-3-11)15-16(13)9-10-4-6-19-7-5-10/h8,10-11H,2-7,9H2,1H3
InChIKeyYUUQLPWQUMPFQM-UHFFFAOYSA-N
MW264.32 g/mol
LogP1.97
Rot. Bonds4

About methyl 3-cyclopropyl-1-(oxan-4-ylmethyl)pyrazole-5-carboxylate

methyl 3-cyclopropyl-1-(oxan-4-ylmethyl)pyrazole-5-carboxylate (PubChem CID 166528856) has the molecular formula C14H20N2O3 and a molecular weight of 264.32 g/mol. Its IUPAC name is methyl 3-cyclopropyl-1-(oxan-4-ylmethyl)pyrazole-5-carboxylate.

Molecular Properties

Compound Namemethyl 3-cyclopropyl-1-(oxan-4-ylmethyl)pyrazole-5-carboxylate
PubChem CID166528856
Molecular FormulaC14H20N2O3
Molecular Weight264.32 g/mol
Exact Mass264.15
IUPAC Namemethyl 3-cyclopropyl-1-(oxan-4-ylmethyl)pyrazole-5-carboxylate
SMILESCOC(=O)c1cc(C2CC2)nn1CC1CCOCC1
InChIInChI=1S/C14H20N2O3/c1-18-14(17)13-8-12(11-2-3-11)15-16(13)9-10-4-6-19-7-5-10/h8,10-11H,2-7,9H2,1H3
InChIKeyYUUQLPWQUMPFQM-UHFFFAOYSA-N
XLogP1.97
TPSA53.35 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.32
LogP ≤ 51.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

Ethyl 3-phenyl-1-(phenylmethyl)-1H-pyrazole-5-carboxylate
CID 3403603
Ethyl 1-(2-cyanoethyl)-3-phenylpyrazole-5-carboxylate
CID 2389332
1-ethyl-3-(propan-2-yl)-1H-pyrazole-5-carboxylic acid
CID 6484132
Ethyl 1-methyl-3-phenyl-1H-pyrazole-5-carboxylate
CID 4166529
[(2E)-3,7-dimethylocta-2,6-dienyl] 1-tert-butyl-3-propylpyrazole-5-carboxylate
CID 52921549
[(2E)-3,7-dimethylocta-2,6-dienyl] 1-tert-butyl-3-propan-2-ylpyrazole-5-carboxylate
CID 52921551
1-methyl-3-(2-methylpropyl)-1H-pyrazole-5-carboxylic acid
CID 3159609
1-tert-butyl-5-cyclopropyl-1H-pyrazole-3-carboxylic acid
CID 39869049
Ethyl 3-phenyl-1-prop-2-enylpyrazole-5-carboxylate
CID 23724292
3-cyclopropyl-1-methyl-1H-pyrazole-5-carboxylic acid
CID 3159656
Ethyl 1-methyl-5-propyl-1H-pyrazole-3-carboxylate
CID 11805647
3-Cyclopropyl-1-ethyl-1H-pyrazole-5-carboxylic acid
CID 25220763

Frequently Asked Questions

What is the IUPAC name of methyl 3-cyclopropyl-1-(oxan-4-ylmethyl)pyrazole-5-carboxylate?
The IUPAC name of methyl 3-cyclopropyl-1-(oxan-4-ylmethyl)pyrazole-5-carboxylate (CID 166528856) is methyl 3-cyclopropyl-1-(oxan-4-ylmethyl)pyrazole-5-carboxylate.
What is the SMILES notation for methyl 3-cyclopropyl-1-(oxan-4-ylmethyl)pyrazole-5-carboxylate?
The canonical SMILES for methyl 3-cyclopropyl-1-(oxan-4-ylmethyl)pyrazole-5-carboxylate is COC(=O)c1cc(C2CC2)nn1CC1CCOCC1.
What is the InChIKey of methyl 3-cyclopropyl-1-(oxan-4-ylmethyl)pyrazole-5-carboxylate?
The InChIKey is YUUQLPWQUMPFQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O3/c1-18-14(17)13-8-12(11-2-3-11)15-16(13)9-10-4-6-19-7-5-10/h8,10-11H,2-7,9H2,1H3.
What are the key properties of methyl 3-cyclopropyl-1-(oxan-4-ylmethyl)pyrazole-5-carboxylate?
methyl 3-cyclopropyl-1-(oxan-4-ylmethyl)pyrazole-5-carboxylate has a molecular weight of 264.32 g/mol, XLogP of 1.97, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-cyclopropyl-1-(oxan-4-ylmethyl)pyrazole-5-carboxylate is sourced from PubChem (CID 166528856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).