ethyl 2-[4-(aminomethyl)pyrazol-1-yl]acetate

C8H13N3O2 — CID 122240626

IUPACethyl 2-[4-(aminomethyl)pyrazol-1-yl]acetate
SMILESCCOC(=O)Cn1cc(CN)cn1
InChIInChI=1S/C8H13N3O2/c1-2-13-8(12)6-11-5-7(3-9)4-10-11/h4-5H,2-3,6,9H2,1H3
InChIKeyWNHCBINYZUOFEB-UHFFFAOYSA-N
MW183.21 g/mol
LogP-0.10
Rot. Bonds4

About ethyl 2-[4-(aminomethyl)pyrazol-1-yl]acetate

ethyl 2-[4-(aminomethyl)pyrazol-1-yl]acetate (PubChem CID 122240626) has the molecular formula C8H13N3O2 and a molecular weight of 183.21 g/mol. Its IUPAC name is ethyl 2-[4-(aminomethyl)pyrazol-1-yl]acetate.

Molecular Properties

Compound Nameethyl 2-[4-(aminomethyl)pyrazol-1-yl]acetate
PubChem CID122240626
Molecular FormulaC8H13N3O2
Molecular Weight183.21 g/mol
Exact Mass183.10
IUPAC Nameethyl 2-[4-(aminomethyl)pyrazol-1-yl]acetate
SMILESCCOC(=O)Cn1cc(CN)cn1
InChIInChI=1S/C8H13N3O2/c1-2-13-8(12)6-11-5-7(3-9)4-10-11/h4-5H,2-3,6,9H2,1H3
InChIKeyWNHCBINYZUOFEB-UHFFFAOYSA-N
XLogP-0.10
TPSA70.14 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.21
LogP ≤ 5-0.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

Ethyl 2-(4-bromo-1H-pyrazol-1-yl)-2-methylpropanoate
CID 59231678
2-(4-methyl-1H-pyrazol-1-yl)acetic acid
CID 6485345
2-(4-formyl-1H-pyrazol-1-yl)ethyl acetate
CID 54593338
ethyl 2-(4-bromo-1H-pyrazol-1-yl)acetate
CID 7017475
2-(4-Methyl-Pyrazol-1-Yl)-Propionic Acid
CID 17024576
ethyl 2-(4-iodo-1H-pyrazol-1-yl)-2-methylpropanoate
CID 57911028
tert-butyl 2-(4-formyl-1H-pyrazol-1-yl)acetate
CID 88975469
tert-butyl 2-(4-ethynyl-1H-pyrazol-1-yl)acetate
CID 122240640
Ethyl 2-(1H-pyrazol-1-yl)acetate
CID 4534671
[1-(2-methoxyethyl)-1H-pyrazol-4-yl]methanamine
CID 62729144
methyl 2-{[(1-methyl-1H-pyrazol-4-yl)methyl]amino}acetate hydrochloride
CID 54592896
Methyl 2-(4-ethynyl-1H-pyrazol-1-yl)acetate
CID 119056314

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[4-(aminomethyl)pyrazol-1-yl]acetate?
The IUPAC name of ethyl 2-[4-(aminomethyl)pyrazol-1-yl]acetate (CID 122240626) is ethyl 2-[4-(aminomethyl)pyrazol-1-yl]acetate.
What is the SMILES notation for ethyl 2-[4-(aminomethyl)pyrazol-1-yl]acetate?
The canonical SMILES for ethyl 2-[4-(aminomethyl)pyrazol-1-yl]acetate is CCOC(=O)Cn1cc(CN)cn1.
What is the InChIKey of ethyl 2-[4-(aminomethyl)pyrazol-1-yl]acetate?
The InChIKey is WNHCBINYZUOFEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N3O2/c1-2-13-8(12)6-11-5-7(3-9)4-10-11/h4-5H,2-3,6,9H2,1H3.
What are the key properties of ethyl 2-[4-(aminomethyl)pyrazol-1-yl]acetate?
ethyl 2-[4-(aminomethyl)pyrazol-1-yl]acetate has a molecular weight of 183.21 g/mol, XLogP of -0.10, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[4-(aminomethyl)pyrazol-1-yl]acetate is sourced from PubChem (CID 122240626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).