N-[1-(2-aminoethyl)pyrazol-4-yl]-2-methoxyacetamide

C8H14N4O2 — CID 73440703

IUPACN-[1-(2-aminoethyl)pyrazol-4-yl]-2-methoxyacetamide
SMILESCOCC(=O)Nc1cnn(CCN)c1
InChIInChI=1S/C8H14N4O2/c1-14-6-8(13)11-7-4-10-12(5-7)3-2-9/h4-5H,2-3,6,9H2,1H3,(H,11,13)
InChIKeyVEERRJQHXDNMLT-UHFFFAOYSA-N
MW198.23 g/mol
LogP-0.57
Rot. Bonds5

About N-[1-(2-aminoethyl)pyrazol-4-yl]-2-methoxyacetamide

N-[1-(2-aminoethyl)pyrazol-4-yl]-2-methoxyacetamide (PubChem CID 73440703) has the molecular formula C8H14N4O2 and a molecular weight of 198.23 g/mol. Its IUPAC name is N-[1-(2-aminoethyl)pyrazol-4-yl]-2-methoxyacetamide.

Molecular Properties

Compound NameN-[1-(2-aminoethyl)pyrazol-4-yl]-2-methoxyacetamide
PubChem CID73440703
Molecular FormulaC8H14N4O2
Molecular Weight198.23 g/mol
Exact Mass198.11
IUPAC NameN-[1-(2-aminoethyl)pyrazol-4-yl]-2-methoxyacetamide
SMILESCOCC(=O)Nc1cnn(CCN)c1
InChIInChI=1S/C8H14N4O2/c1-14-6-8(13)11-7-4-10-12(5-7)3-2-9/h4-5H,2-3,6,9H2,1H3,(H,11,13)
InChIKeyVEERRJQHXDNMLT-UHFFFAOYSA-N
XLogP-0.57
TPSA82.17 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.23
LogP ≤ 5-0.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[1-(methoxymethyl)pyrazol-4-yl]propanamide
CID 19411093
2-methoxy-N-[1-(oxan-2-ylmethyl)pyrazol-4-yl]acetamide
CID 121145156
N-[1-[(2-chloro-4-fluorophenyl)methyl]pyrazol-4-yl]-2-methoxyacetamide
CID 39853882
2-amino-N-[1-[2-(methylamino)-2-oxoethyl]pyrazol-4-yl]acetamide
CID 60946190
(2R)-2-amino-N-[1-(2-methoxyethyl)pyrazol-4-yl]propanamide;hydrochloride
CID 119292252
2-[4-(aminomethyl)phenoxy]-N-(1-ethylpyrazol-4-yl)acetamide
CID 43543203
2-[4-(4-aminobutanoylamino)pyrazol-1-yl]acetic acid
CID 61285548
2-(cyclopentylamino)-N-[1-(2-methoxyethyl)pyrazol-4-yl]acetamide
CID 54928520
2-amino-N-[1-(2-methoxyethyl)pyrazol-4-yl]-3-methylbutanamide;hydrochloride
CID 119292257
N-[1-(2-methoxyethyl)pyrazol-4-yl]but-2-enamide
CID 78968035
2-amino-N-[4-[(2-methoxyacetyl)amino]phenyl]acetamide
CID 43708154
2,6-dihydroxy-N-[1-(2-methoxyethyl)pyrazol-4-yl]benzamide
CID 103749044

Frequently Asked Questions

What is the IUPAC name of N-[1-(2-aminoethyl)pyrazol-4-yl]-2-methoxyacetamide?
The IUPAC name of N-[1-(2-aminoethyl)pyrazol-4-yl]-2-methoxyacetamide (CID 73440703) is N-[1-(2-aminoethyl)pyrazol-4-yl]-2-methoxyacetamide.
What is the SMILES notation for N-[1-(2-aminoethyl)pyrazol-4-yl]-2-methoxyacetamide?
The canonical SMILES for N-[1-(2-aminoethyl)pyrazol-4-yl]-2-methoxyacetamide is COCC(=O)Nc1cnn(CCN)c1.
What is the InChIKey of N-[1-(2-aminoethyl)pyrazol-4-yl]-2-methoxyacetamide?
The InChIKey is VEERRJQHXDNMLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N4O2/c1-14-6-8(13)11-7-4-10-12(5-7)3-2-9/h4-5H,2-3,6,9H2,1H3,(H,11,13).
What are the key properties of N-[1-(2-aminoethyl)pyrazol-4-yl]-2-methoxyacetamide?
N-[1-(2-aminoethyl)pyrazol-4-yl]-2-methoxyacetamide has a molecular weight of 198.23 g/mol, XLogP of -0.57, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-aminoethyl)pyrazol-4-yl]-2-methoxyacetamide is sourced from PubChem (CID 73440703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).