methyl 4-amino-1-(cyclopropylmethoxymethyl)pyrazole-3-carboxylate

C10H15N3O3 — CID 107344491

IUPACmethyl 4-amino-1-(cyclopropylmethoxymethyl)pyrazole-3-carboxylate
SMILESCOC(=O)c1nn(COCC2CC2)cc1N
InChIInChI=1S/C10H15N3O3/c1-15-10(14)9-8(11)4-13(12-9)6-16-5-7-2-3-7/h4,7H,2-3,5-6,11H2,1H3
InChIKeyGTSKUZKSOQLWCD-UHFFFAOYSA-N
MW225.25 g/mol
LogP0.64
Rot. Bonds5

About methyl 4-amino-1-(cyclopropylmethoxymethyl)pyrazole-3-carboxylate

methyl 4-amino-1-(cyclopropylmethoxymethyl)pyrazole-3-carboxylate (PubChem CID 107344491) has the molecular formula C10H15N3O3 and a molecular weight of 225.25 g/mol. Its IUPAC name is methyl 4-amino-1-(cyclopropylmethoxymethyl)pyrazole-3-carboxylate.

Molecular Properties

Compound Namemethyl 4-amino-1-(cyclopropylmethoxymethyl)pyrazole-3-carboxylate
PubChem CID107344491
Molecular FormulaC10H15N3O3
Molecular Weight225.25 g/mol
Exact Mass225.11
IUPAC Namemethyl 4-amino-1-(cyclopropylmethoxymethyl)pyrazole-3-carboxylate
SMILESCOC(=O)c1nn(COCC2CC2)cc1N
InChIInChI=1S/C10H15N3O3/c1-15-10(14)9-8(11)4-13(12-9)6-16-5-7-2-3-7/h4,7H,2-3,5-6,11H2,1H3
InChIKeyGTSKUZKSOQLWCD-UHFFFAOYSA-N
XLogP0.64
TPSA79.37 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.25
LogP ≤ 50.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of methyl 4-amino-1-(cyclopropylmethoxymethyl)pyrazole-3-carboxylate?
The IUPAC name of methyl 4-amino-1-(cyclopropylmethoxymethyl)pyrazole-3-carboxylate (CID 107344491) is methyl 4-amino-1-(cyclopropylmethoxymethyl)pyrazole-3-carboxylate.
What is the SMILES notation for methyl 4-amino-1-(cyclopropylmethoxymethyl)pyrazole-3-carboxylate?
The canonical SMILES for methyl 4-amino-1-(cyclopropylmethoxymethyl)pyrazole-3-carboxylate is COC(=O)c1nn(COCC2CC2)cc1N.
What is the InChIKey of methyl 4-amino-1-(cyclopropylmethoxymethyl)pyrazole-3-carboxylate?
The InChIKey is GTSKUZKSOQLWCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O3/c1-15-10(14)9-8(11)4-13(12-9)6-16-5-7-2-3-7/h4,7H,2-3,5-6,11H2,1H3.
What are the key properties of methyl 4-amino-1-(cyclopropylmethoxymethyl)pyrazole-3-carboxylate?
methyl 4-amino-1-(cyclopropylmethoxymethyl)pyrazole-3-carboxylate has a molecular weight of 225.25 g/mol, XLogP of 0.64, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-amino-1-(cyclopropylmethoxymethyl)pyrazole-3-carboxylate is sourced from PubChem (CID 107344491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).