ethyl 5-amino-1-(1-cyclopropylethyl)pyrazole-4-carboxylate

C11H17N3O2 — CID 61270551

IUPACethyl 5-amino-1-(1-cyclopropylethyl)pyrazole-4-carboxylate
SMILESCCOC(=O)c1cnn(C(C)C2CC2)c1N
InChIInChI=1S/C11H17N3O2/c1-3-16-11(15)9-6-13-14(10(9)12)7(2)8-4-5-8/h6-8H,3-5,12H2,1-2H3
InChIKeyYTTIWIBGGBGHMJ-UHFFFAOYSA-N
MW223.28 g/mol
LogP1.61
Rot. Bonds4

About ethyl 5-amino-1-(1-cyclopropylethyl)pyrazole-4-carboxylate

ethyl 5-amino-1-(1-cyclopropylethyl)pyrazole-4-carboxylate (PubChem CID 61270551) has the molecular formula C11H17N3O2 and a molecular weight of 223.28 g/mol. Its IUPAC name is ethyl 5-amino-1-(1-cyclopropylethyl)pyrazole-4-carboxylate.

Molecular Properties

Compound Nameethyl 5-amino-1-(1-cyclopropylethyl)pyrazole-4-carboxylate
PubChem CID61270551
Molecular FormulaC11H17N3O2
Molecular Weight223.28 g/mol
Exact Mass223.13
IUPAC Nameethyl 5-amino-1-(1-cyclopropylethyl)pyrazole-4-carboxylate
SMILESCCOC(=O)c1cnn(C(C)C2CC2)c1N
InChIInChI=1S/C11H17N3O2/c1-3-16-11(15)9-6-13-14(10(9)12)7(2)8-4-5-8/h6-8H,3-5,12H2,1-2H3
InChIKeyYTTIWIBGGBGHMJ-UHFFFAOYSA-N
XLogP1.61
TPSA70.14 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.28
LogP ≤ 51.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

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CID 271299
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ethyl 3-amino-1-methyl-1H-pyrazole-4-carboxylate
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ethyl 5-isocyanato-1-methyl-1H-pyrazole-4-carboxylate
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ethyl 5-amino-1-(tert-butyl)-1H-pyrazole-4-carboxylate
CID 13809946
methyl 3-amino-1-methyl-1H-pyrazole-4-carboxylate
CID 20388928
ethyl 5-amino-1-(2,2,2-trifluoroethyl)-1H-pyrazole-4-carboxylate
CID 22831608
Ethyl 5-amino-1-[1-(4-methylpentanoyl)piperidin-4-yl]pyrazole-4-carboxylate
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Frequently Asked Questions

What is the IUPAC name of ethyl 5-amino-1-(1-cyclopropylethyl)pyrazole-4-carboxylate?
The IUPAC name of ethyl 5-amino-1-(1-cyclopropylethyl)pyrazole-4-carboxylate (CID 61270551) is ethyl 5-amino-1-(1-cyclopropylethyl)pyrazole-4-carboxylate.
What is the SMILES notation for ethyl 5-amino-1-(1-cyclopropylethyl)pyrazole-4-carboxylate?
The canonical SMILES for ethyl 5-amino-1-(1-cyclopropylethyl)pyrazole-4-carboxylate is CCOC(=O)c1cnn(C(C)C2CC2)c1N.
What is the InChIKey of ethyl 5-amino-1-(1-cyclopropylethyl)pyrazole-4-carboxylate?
The InChIKey is YTTIWIBGGBGHMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O2/c1-3-16-11(15)9-6-13-14(10(9)12)7(2)8-4-5-8/h6-8H,3-5,12H2,1-2H3.
What are the key properties of ethyl 5-amino-1-(1-cyclopropylethyl)pyrazole-4-carboxylate?
ethyl 5-amino-1-(1-cyclopropylethyl)pyrazole-4-carboxylate has a molecular weight of 223.28 g/mol, XLogP of 1.61, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-amino-1-(1-cyclopropylethyl)pyrazole-4-carboxylate is sourced from PubChem (CID 61270551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).