methyl 2-[1-(1H-pyrazol-4-yl)ethylamino]propanoate

C9H15N3O2 — CID 104696535

IUPACmethyl 2-[1-(1H-pyrazol-4-yl)ethylamino]propanoate
SMILESCOC(=O)C(C)NC(C)c1cn[nH]c1
InChIInChI=1S/C9H15N3O2/c1-6(8-4-10-11-5-8)12-7(2)9(13)14-3/h4-7,12H,1-3H3,(H,10,11)
InChIKeyQNFISWWFGBIMDS-UHFFFAOYSA-N
MW197.24 g/mol
LogP0.62
Rot. Bonds4

About methyl 2-[1-(1H-pyrazol-4-yl)ethylamino]propanoate

methyl 2-[1-(1H-pyrazol-4-yl)ethylamino]propanoate (PubChem CID 104696535) has the molecular formula C9H15N3O2 and a molecular weight of 197.24 g/mol. Its IUPAC name is methyl 2-[1-(1H-pyrazol-4-yl)ethylamino]propanoate.

Molecular Properties

Compound Namemethyl 2-[1-(1H-pyrazol-4-yl)ethylamino]propanoate
PubChem CID104696535
Molecular FormulaC9H15N3O2
Molecular Weight197.24 g/mol
Exact Mass197.12
IUPAC Namemethyl 2-[1-(1H-pyrazol-4-yl)ethylamino]propanoate
SMILESCOC(=O)C(C)NC(C)c1cn[nH]c1
InChIInChI=1S/C9H15N3O2/c1-6(8-4-10-11-5-8)12-7(2)9(13)14-3/h4-7,12H,1-3H3,(H,10,11)
InChIKeyQNFISWWFGBIMDS-UHFFFAOYSA-N
XLogP0.62
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.24
LogP ≤ 50.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

methyl (2S)-3,3-dimethyl-2-(1H-pyrazol-4-ylmethylamino)butanoate
CID 57623339
methyl (2S)-3,3-dimethyl-2-[1-(1H-pyrazol-4-yl)ethylamino]butanoate
CID 67100534
methyl 3,3-dimethyl-2-(1H-pyrazol-4-ylmethylamino)butanoate
CID 67100918
methyl (2S)-2-[(2-cyanoacetyl)-[1-(1H-pyrazol-4-yl)ethyl]amino]-3,3-dimethylbutanoate
CID 67101386
tert-butyl 3-oxo-2-[1-(1H-pyrazol-4-yl)ethylamino]butanoate
CID 123322416
methyl 2-[(5-methyl-1H-pyrazol-4-yl)methylamino]acetate
CID 43663439
2-[(5-methyl-1H-pyrazol-4-yl)methylamino]acetic acid
CID 43663721
methyl 3-[(5-methyl-1H-pyrazol-4-yl)methylamino]propanoate
CID 43663732
methyl (2S)-3-methyl-2-[(5-methyl-1H-pyrazol-4-yl)methylamino]butanoate
CID 43663745
methyl 4-methyl-2-[(5-methyl-1H-pyrazol-4-yl)methylamino]pentanoate
CID 43689096
methyl (2S)-2-[(5-methyl-1H-pyrazol-4-yl)methylamino]propanoate
CID 43723769
methyl 2-methyl-2-[(5-methyl-1H-pyrazol-4-yl)methylamino]propanoate
CID 43726146

Frequently Asked Questions

What is the IUPAC name of methyl 2-[1-(1H-pyrazol-4-yl)ethylamino]propanoate?
The IUPAC name of methyl 2-[1-(1H-pyrazol-4-yl)ethylamino]propanoate (CID 104696535) is methyl 2-[1-(1H-pyrazol-4-yl)ethylamino]propanoate.
What is the SMILES notation for methyl 2-[1-(1H-pyrazol-4-yl)ethylamino]propanoate?
The canonical SMILES for methyl 2-[1-(1H-pyrazol-4-yl)ethylamino]propanoate is COC(=O)C(C)NC(C)c1cn[nH]c1.
What is the InChIKey of methyl 2-[1-(1H-pyrazol-4-yl)ethylamino]propanoate?
The InChIKey is QNFISWWFGBIMDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3O2/c1-6(8-4-10-11-5-8)12-7(2)9(13)14-3/h4-7,12H,1-3H3,(H,10,11).
What are the key properties of methyl 2-[1-(1H-pyrazol-4-yl)ethylamino]propanoate?
methyl 2-[1-(1H-pyrazol-4-yl)ethylamino]propanoate has a molecular weight of 197.24 g/mol, XLogP of 0.62, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[1-(1H-pyrazol-4-yl)ethylamino]propanoate is sourced from PubChem (CID 104696535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).