ethyl 2-[(5-pyridin-3-yl-1H-pyrazol-4-yl)methylamino]propanoate

C14H18N4O2 — CID 61498623

IUPACethyl 2-[(5-pyridin-3-yl-1H-pyrazol-4-yl)methylamino]propanoate
SMILESCCOC(=O)C(C)NCc1cn[nH]c1-c1cccnc1
InChIInChI=1S/C14H18N4O2/c1-3-20-14(19)10(2)16-8-12-9-17-18-13(12)11-5-4-6-15-7-11/h4-7,9-10,16H,3,8H2,1-2H3,(H,17,18)
InChIKeyFSCKWIDQIDZXCT-UHFFFAOYSA-N
MW274.32 g/mol
LogP1.51
Rot. Bonds6

About ethyl 2-[(5-pyridin-3-yl-1H-pyrazol-4-yl)methylamino]propanoate

ethyl 2-[(5-pyridin-3-yl-1H-pyrazol-4-yl)methylamino]propanoate (PubChem CID 61498623) has the molecular formula C14H18N4O2 and a molecular weight of 274.32 g/mol. Its IUPAC name is ethyl 2-[(5-pyridin-3-yl-1H-pyrazol-4-yl)methylamino]propanoate.

Molecular Properties

Compound Nameethyl 2-[(5-pyridin-3-yl-1H-pyrazol-4-yl)methylamino]propanoate
PubChem CID61498623
Molecular FormulaC14H18N4O2
Molecular Weight274.32 g/mol
Exact Mass274.14
IUPAC Nameethyl 2-[(5-pyridin-3-yl-1H-pyrazol-4-yl)methylamino]propanoate
SMILESCCOC(=O)C(C)NCc1cn[nH]c1-c1cccnc1
InChIInChI=1S/C14H18N4O2/c1-3-20-14(19)10(2)16-8-12-9-17-18-13(12)11-5-4-6-15-7-11/h4-7,9-10,16H,3,8H2,1-2H3,(H,17,18)
InChIKeyFSCKWIDQIDZXCT-UHFFFAOYSA-N
XLogP1.51
TPSA79.90 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.32
LogP ≤ 51.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N,N-dimethyl-2-[(5-pyridin-3-yl-1H-pyrazol-4-yl)methylamino]propanamide
CID 43778170
N-ethyl-N-methyl-2-[(5-pyridin-3-yl-1H-pyrazol-4-yl)methylamino]propanamide
CID 103107422
N-[(5-pyridin-3-yl-1H-pyrazol-4-yl)methyl]butan-2-amine
CID 43756378
(1R)-1-pyridin-3-yl-N-[(5-pyridin-3-yl-1H-pyrazol-4-yl)methyl]ethanamine
CID 81392078
2-ethoxy-N-[(5-pyridin-3-yl-1H-pyrazol-4-yl)methyl]propan-1-amine
CID 115655743
1-pyridin-4-yl-N-[(5-pyridin-3-yl-1H-pyrazol-4-yl)methyl]ethanamine
CID 43766878
methyl 2-[(5-pyridin-3-yl-1H-pyrazol-4-yl)methylamino]acetate
CID 43756904
1-cyclopropyl-N-[(5-pyridin-3-yl-1H-pyrazol-4-yl)methyl]ethanamine
CID 43776581
(1S)-N-[(5-pyridin-3-yl-1H-pyrazol-4-yl)methyl]-1-thiophen-2-ylethanamine
CID 81398695
3-methyl-1-[(5-pyridin-3-yl-1H-pyrazol-4-yl)methylamino]butan-2-ol
CID 111422008
methyl 3-(5-pyridin-3-yl-1H-pyrazol-4-yl)propanoate
CID 121212172
N-butan-2-yl-4-[(5-pyridin-3-yl-1H-pyrazol-4-yl)methylamino]benzamide
CID 166230930

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[(5-pyridin-3-yl-1H-pyrazol-4-yl)methylamino]propanoate?
The IUPAC name of ethyl 2-[(5-pyridin-3-yl-1H-pyrazol-4-yl)methylamino]propanoate (CID 61498623) is ethyl 2-[(5-pyridin-3-yl-1H-pyrazol-4-yl)methylamino]propanoate.
What is the SMILES notation for ethyl 2-[(5-pyridin-3-yl-1H-pyrazol-4-yl)methylamino]propanoate?
The canonical SMILES for ethyl 2-[(5-pyridin-3-yl-1H-pyrazol-4-yl)methylamino]propanoate is CCOC(=O)C(C)NCc1cn[nH]c1-c1cccnc1.
What is the InChIKey of ethyl 2-[(5-pyridin-3-yl-1H-pyrazol-4-yl)methylamino]propanoate?
The InChIKey is FSCKWIDQIDZXCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O2/c1-3-20-14(19)10(2)16-8-12-9-17-18-13(12)11-5-4-6-15-7-11/h4-7,9-10,16H,3,8H2,1-2H3,(H,17,18).
What are the key properties of ethyl 2-[(5-pyridin-3-yl-1H-pyrazol-4-yl)methylamino]propanoate?
ethyl 2-[(5-pyridin-3-yl-1H-pyrazol-4-yl)methylamino]propanoate has a molecular weight of 274.32 g/mol, XLogP of 1.51, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[(5-pyridin-3-yl-1H-pyrazol-4-yl)methylamino]propanoate is sourced from PubChem (CID 61498623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).