2-amino-N-(1-benzylpyrazol-4-yl)-3-methoxypropanamide

C14H18N4O2 — CID 81083334

IUPAC2-amino-N-(1-benzylpyrazol-4-yl)-3-methoxypropanamide
SMILESCOCC(N)C(=O)Nc1cnn(Cc2ccccc2)c1
InChIInChI=1S/C14H18N4O2/c1-20-10-13(15)14(19)17-12-7-16-18(9-12)8-11-5-3-2-4-6-11/h2-7,9,13H,8,10,15H2,1H3,(H,17,19)
InChIKeyIVBNNBVJGFNDPT-UHFFFAOYSA-N
MW274.32 g/mol
LogP0.84
Rot. Bonds6

About 2-amino-N-(1-benzylpyrazol-4-yl)-3-methoxypropanamide

2-amino-N-(1-benzylpyrazol-4-yl)-3-methoxypropanamide (PubChem CID 81083334) has the molecular formula C14H18N4O2 and a molecular weight of 274.32 g/mol. Its IUPAC name is 2-amino-N-(1-benzylpyrazol-4-yl)-3-methoxypropanamide.

Molecular Properties

Compound Name2-amino-N-(1-benzylpyrazol-4-yl)-3-methoxypropanamide
PubChem CID81083334
Molecular FormulaC14H18N4O2
Molecular Weight274.32 g/mol
Exact Mass274.14
IUPAC Name2-amino-N-(1-benzylpyrazol-4-yl)-3-methoxypropanamide
SMILESCOCC(N)C(=O)Nc1cnn(Cc2ccccc2)c1
InChIInChI=1S/C14H18N4O2/c1-20-10-13(15)14(19)17-12-7-16-18(9-12)8-11-5-3-2-4-6-11/h2-7,9,13H,8,10,15H2,1H3,(H,17,19)
InChIKeyIVBNNBVJGFNDPT-UHFFFAOYSA-N
XLogP0.84
TPSA82.17 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 ≤ 50.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-amino-N-[1-(1-benzylpyrazol-4-yl)ethyl]-3-methoxypropanamide;hydrochloride
CID 120993484
2-amino-N-(1-ethylpyrazol-4-yl)-3-phenylpropanamide;hydrochloride
CID 119292189
4-amino-N-(1-benzylpyrazol-4-yl)-3-methoxybutanamide;hydrochloride
CID 120589702
N-(1-benzylpyrazol-4-yl)-2-bromo-3-methylbutanamide
CID 60934374
2-amino-3-methoxy-N-[1-[2-(4-methoxyanilino)-2-oxoethyl]pyrazol-4-yl]propanamide;hydrochloride
CID 120988056
(2S)-2-amino-N-[1-(pyridin-4-ylmethyl)pyrazol-4-yl]butanamide
CID 119871213
2-(aminomethyl)-N-(1-benzylpyrazol-4-yl)pentanamide
CID 65229818
(2R)-2-amino-N-[1-(pyridin-4-ylmethyl)pyrazol-4-yl]propanamide;dihydrochloride
CID 119871202
2-amino-N-[1-(2-amino-2-oxoethyl)pyrazol-4-yl]-3-phenylpropanamide
CID 43705851
2-amino-N-[1-(2-methoxyethyl)pyrazol-4-yl]pentanamide;hydrochloride
CID 119292254
N-(1-benzylpyrazol-4-yl)-2-(propan-2-ylamino)acetamide
CID 60945148
4-amino-5-[[1-(2-methoxyethyl)pyrazol-4-yl]amino]-5-oxopentanoic acid
CID 64895222

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(1-benzylpyrazol-4-yl)-3-methoxypropanamide?
The IUPAC name of 2-amino-N-(1-benzylpyrazol-4-yl)-3-methoxypropanamide (CID 81083334) is 2-amino-N-(1-benzylpyrazol-4-yl)-3-methoxypropanamide.
What is the SMILES notation for 2-amino-N-(1-benzylpyrazol-4-yl)-3-methoxypropanamide?
The canonical SMILES for 2-amino-N-(1-benzylpyrazol-4-yl)-3-methoxypropanamide is COCC(N)C(=O)Nc1cnn(Cc2ccccc2)c1.
What is the InChIKey of 2-amino-N-(1-benzylpyrazol-4-yl)-3-methoxypropanamide?
The InChIKey is IVBNNBVJGFNDPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O2/c1-20-10-13(15)14(19)17-12-7-16-18(9-12)8-11-5-3-2-4-6-11/h2-7,9,13H,8,10,15H2,1H3,(H,17,19).
What are the key properties of 2-amino-N-(1-benzylpyrazol-4-yl)-3-methoxypropanamide?
2-amino-N-(1-benzylpyrazol-4-yl)-3-methoxypropanamide has a molecular weight of 274.32 g/mol, XLogP of 0.84, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(1-benzylpyrazol-4-yl)-3-methoxypropanamide is sourced from PubChem (CID 81083334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).