ethyl 4-amino-1-(3-hydroxypropyl)pyrazole-3-carboxylate

C9H15N3O3 — CID 107344882

IUPACethyl 4-amino-1-(3-hydroxypropyl)pyrazole-3-carboxylate
SMILESCCOC(=O)c1nn(CCCO)cc1N
InChIInChI=1S/C9H15N3O3/c1-2-15-9(14)8-7(10)6-12(11-8)4-3-5-13/h6,13H,2-5,10H2,1H3
InChIKeyQBUOVNWCIAAFNX-UHFFFAOYSA-N
MW213.24 g/mol
LogP0.02
Rot. Bonds5

About ethyl 4-amino-1-(3-hydroxypropyl)pyrazole-3-carboxylate

ethyl 4-amino-1-(3-hydroxypropyl)pyrazole-3-carboxylate (PubChem CID 107344882) has the molecular formula C9H15N3O3 and a molecular weight of 213.24 g/mol. Its IUPAC name is ethyl 4-amino-1-(3-hydroxypropyl)pyrazole-3-carboxylate.

Molecular Properties

Compound Nameethyl 4-amino-1-(3-hydroxypropyl)pyrazole-3-carboxylate
PubChem CID107344882
Molecular FormulaC9H15N3O3
Molecular Weight213.24 g/mol
Exact Mass213.11
IUPAC Nameethyl 4-amino-1-(3-hydroxypropyl)pyrazole-3-carboxylate
SMILESCCOC(=O)c1nn(CCCO)cc1N
InChIInChI=1S/C9H15N3O3/c1-2-15-9(14)8-7(10)6-12(11-8)4-3-5-13/h6,13H,2-5,10H2,1H3
InChIKeyQBUOVNWCIAAFNX-UHFFFAOYSA-N
XLogP0.02
TPSA90.37 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.24
LogP ≤ 50.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

ethyl 4-amino-1-(2-hydroxyethyl)pyrazole-3-carboxylate
CID 107344782
ethyl 4-amino-1-pentylpyrazole-3-carboxylate
CID 107344874
methyl 4-amino-1-(5-hydroxypentyl)pyrazole-3-carboxylate
CID 107344620
ethyl 4-amino-1-(5-cyano-5-methylhexyl)pyrazole-3-carboxylate
CID 107344862
ethyl 4-amino-1-(2-phenylethyl)pyrazole-3-carboxylate
CID 107345048
ethyl 4-amino-1-[3-(ethylamino)-3-oxopropyl]pyrazole-3-carboxylate
CID 107344921
methyl 4-amino-1-hexylpyrazole-3-carboxylate
CID 107344558
ethyl 4-amino-1-[2-(diethylamino)-2-oxoethyl]pyrazole-3-carboxylate
CID 107344903
ethyl 4-amino-1-(2-methylbutyl)pyrazole-3-carboxylate
CID 107344838
ethyl 4-amino-1-(3-amino-2-methyl-3-oxopropyl)pyrazole-3-carboxylate
CID 107345022
ethyl 4-amino-1-[2-(butylamino)-2-oxoethyl]pyrazole-3-carboxylate
CID 107345027
4-amino-1-heptylpyrazole-3-carboxamide
CID 107345098

Frequently Asked Questions

What is the IUPAC name of ethyl 4-amino-1-(3-hydroxypropyl)pyrazole-3-carboxylate?
The IUPAC name of ethyl 4-amino-1-(3-hydroxypropyl)pyrazole-3-carboxylate (CID 107344882) is ethyl 4-amino-1-(3-hydroxypropyl)pyrazole-3-carboxylate.
What is the SMILES notation for ethyl 4-amino-1-(3-hydroxypropyl)pyrazole-3-carboxylate?
The canonical SMILES for ethyl 4-amino-1-(3-hydroxypropyl)pyrazole-3-carboxylate is CCOC(=O)c1nn(CCCO)cc1N.
What is the InChIKey of ethyl 4-amino-1-(3-hydroxypropyl)pyrazole-3-carboxylate?
The InChIKey is QBUOVNWCIAAFNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3O3/c1-2-15-9(14)8-7(10)6-12(11-8)4-3-5-13/h6,13H,2-5,10H2,1H3.
What are the key properties of ethyl 4-amino-1-(3-hydroxypropyl)pyrazole-3-carboxylate?
ethyl 4-amino-1-(3-hydroxypropyl)pyrazole-3-carboxylate has a molecular weight of 213.24 g/mol, XLogP of 0.02, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-amino-1-(3-hydroxypropyl)pyrazole-3-carboxylate is sourced from PubChem (CID 107344882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).