4-(aminomethyl)-N-[1-[2-(2-methoxyethylamino)-2-oxoethyl]pyrazol-4-yl]benzamide

C16H21N5O3 — CID 119333445

IUPAC4-(aminomethyl)-N-[1-[2-(2-methoxyethylamino)-2-oxoethyl]pyrazol-4-yl]benzamide
SMILESCOCCNC(=O)Cn1cc(NC(=O)c2ccc(CN)cc2)cn1
InChIInChI=1S/C16H21N5O3/c1-24-7-6-18-15(22)11-21-10-14(9-19-21)20-16(23)13-4-2-12(8-17)3-5-13/h2-5,9-10H,6-8,11,17H2,1H3,(H,18,22)(H,20,23)
InChIKeyFHKWLNMQZASALB-UHFFFAOYSA-N
MW331.38 g/mol
LogP0.36
Rot. Bonds8

About 4-(aminomethyl)-N-[1-[2-(2-methoxyethylamino)-2-oxoethyl]pyrazol-4-yl]benzamide

4-(aminomethyl)-N-[1-[2-(2-methoxyethylamino)-2-oxoethyl]pyrazol-4-yl]benzamide (PubChem CID 119333445) has the molecular formula C16H21N5O3 and a molecular weight of 331.38 g/mol. Its IUPAC name is 4-(aminomethyl)-N-[1-[2-(2-methoxyethylamino)-2-oxoethyl]pyrazol-4-yl]benzamide.

Molecular Properties

Compound Name4-(aminomethyl)-N-[1-[2-(2-methoxyethylamino)-2-oxoethyl]pyrazol-4-yl]benzamide
PubChem CID119333445
Molecular FormulaC16H21N5O3
Molecular Weight331.38 g/mol
Exact Mass331.16
IUPAC Name4-(aminomethyl)-N-[1-[2-(2-methoxyethylamino)-2-oxoethyl]pyrazol-4-yl]benzamide
SMILESCOCCNC(=O)Cn1cc(NC(=O)c2ccc(CN)cc2)cn1
InChIInChI=1S/C16H21N5O3/c1-24-7-6-18-15(22)11-21-10-14(9-19-21)20-16(23)13-4-2-12(8-17)3-5-13/h2-5,9-10H,6-8,11,17H2,1H3,(H,18,22)(H,20,23)
InChIKeyFHKWLNMQZASALB-UHFFFAOYSA-N
XLogP0.36
TPSA111.27 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.38
LogP ≤ 50.36
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-(aminomethyl)-N-[1-[2-(cyclopropylamino)-2-oxoethyl]pyrazol-4-yl]benzamide;hydrochloride
CID 119292222
4-(bromomethyl)-N-[1-(2-methoxyethyl)pyrazol-4-yl]benzamide
CID 102851174
(2S)-2-amino-N-[1-[2-(2-methoxyethylamino)-2-oxoethyl]pyrazol-4-yl]-3,3-dimethylbutanamide
CID 119800898
2-amino-N-[1-[2-(2-methoxyethylamino)-2-oxoethyl]pyrazol-4-yl]-2-phenylacetamide
CID 119333449
3-(2-aminophenyl)-N-[1-[2-(2-methoxyethylamino)-2-oxoethyl]pyrazol-4-yl]propanamide;hydrochloride
CID 120611234
N-(2-methoxyethyl)-2-(4-methylpyrazol-1-yl)acetamide
CID 19526602
4-fluoro-N-[1-[2-[2-(3-methylphenyl)ethylamino]-2-oxoethyl]pyrazol-4-yl]benzamide
CID 92634672
4-chloro-N-[1-(methoxymethyl)pyrazol-4-yl]benzamide
CID 19411114
4-amino-N-[1-(2-amino-2-oxoethyl)pyrazol-4-yl]benzamide
CID 43705831
4-[(dimethylamino)methyl]-N-[1-[2-(dimethylamino)-2-oxoethyl]pyrazol-4-yl]benzamide
CID 136522886
2-(aminomethyl)-N-[1-(2-methoxyethyl)pyrazol-4-yl]pyridine-4-carboxamide
CID 114325867
N-[1-(2-methoxyethyl)pyrazol-4-yl]-6-oxo-1H-pyridine-3-carboxamide
CID 61067363

Frequently Asked Questions

What is the IUPAC name of 4-(aminomethyl)-N-[1-[2-(2-methoxyethylamino)-2-oxoethyl]pyrazol-4-yl]benzamide?
The IUPAC name of 4-(aminomethyl)-N-[1-[2-(2-methoxyethylamino)-2-oxoethyl]pyrazol-4-yl]benzamide (CID 119333445) is 4-(aminomethyl)-N-[1-[2-(2-methoxyethylamino)-2-oxoethyl]pyrazol-4-yl]benzamide.
What is the SMILES notation for 4-(aminomethyl)-N-[1-[2-(2-methoxyethylamino)-2-oxoethyl]pyrazol-4-yl]benzamide?
The canonical SMILES for 4-(aminomethyl)-N-[1-[2-(2-methoxyethylamino)-2-oxoethyl]pyrazol-4-yl]benzamide is COCCNC(=O)Cn1cc(NC(=O)c2ccc(CN)cc2)cn1.
What is the InChIKey of 4-(aminomethyl)-N-[1-[2-(2-methoxyethylamino)-2-oxoethyl]pyrazol-4-yl]benzamide?
The InChIKey is FHKWLNMQZASALB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N5O3/c1-24-7-6-18-15(22)11-21-10-14(9-19-21)20-16(23)13-4-2-12(8-17)3-5-13/h2-5,9-10H,6-8,11,17H2,1H3,(H,18,22)(H,20,23).
What are the key properties of 4-(aminomethyl)-N-[1-[2-(2-methoxyethylamino)-2-oxoethyl]pyrazol-4-yl]benzamide?
4-(aminomethyl)-N-[1-[2-(2-methoxyethylamino)-2-oxoethyl]pyrazol-4-yl]benzamide has a molecular weight of 331.38 g/mol, XLogP of 0.36, 8 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(aminomethyl)-N-[1-[2-(2-methoxyethylamino)-2-oxoethyl]pyrazol-4-yl]benzamide is sourced from PubChem (CID 119333445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).