6-amino-3-[1-(3-hydroxypropyl)pyrazol-4-yl]-2-methoxy-N-methylbenzamide

C15H20N4O3 — CID 67816787

IUPAC6-amino-3-[1-(3-hydroxypropyl)pyrazol-4-yl]-2-methoxy-N-methylbenzamide
SMILESCNC(=O)c1c(N)ccc(-c2cnn(CCCO)c2)c1OC
InChIInChI=1S/C15H20N4O3/c1-17-15(21)13-12(16)5-4-11(14(13)22-2)10-8-18-19(9-10)6-3-7-20/h4-5,8-9,20H,3,6-7,16H2,1-2H3,(H,17,21)
InChIKeyZCYOHTACWIQLKY-UHFFFAOYSA-N
MW304.35 g/mol
LogP0.88
Rot. Bonds6

About 6-amino-3-[1-(3-hydroxypropyl)pyrazol-4-yl]-2-methoxy-N-methylbenzamide

6-amino-3-[1-(3-hydroxypropyl)pyrazol-4-yl]-2-methoxy-N-methylbenzamide (PubChem CID 67816787) has the molecular formula C15H20N4O3 and a molecular weight of 304.35 g/mol. Its IUPAC name is 6-amino-3-[1-(3-hydroxypropyl)pyrazol-4-yl]-2-methoxy-N-methylbenzamide.

Molecular Properties

Compound Name6-amino-3-[1-(3-hydroxypropyl)pyrazol-4-yl]-2-methoxy-N-methylbenzamide
PubChem CID67816787
Molecular FormulaC15H20N4O3
Molecular Weight304.35 g/mol
Exact Mass304.15
IUPAC Name6-amino-3-[1-(3-hydroxypropyl)pyrazol-4-yl]-2-methoxy-N-methylbenzamide
SMILESCNC(=O)c1c(N)ccc(-c2cnn(CCCO)c2)c1OC
InChIInChI=1S/C15H20N4O3/c1-17-15(21)13-12(16)5-4-11(14(13)22-2)10-8-18-19(9-10)6-3-7-20/h4-5,8-9,20H,3,6-7,16H2,1-2H3,(H,17,21)
InChIKeyZCYOHTACWIQLKY-UHFFFAOYSA-N
XLogP0.88
TPSA102.40 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.35
LogP ≤ 50.88
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

4-fluoro-2-(2-fluoro-4-iodoanilino)-6-[(3R)-3-hydroxy-4-pyrazol-1-ylbutoxy]benzamide
CID 71579784
2-methoxy-6-(1H-pyrazol-1-yl)benzaldehyde
CID 145874542
3-methoxy-N-(4-((3-methoxyphenethyl)carbamoyl)phenyl)-1-methyl-1H-pyrazole-4-carboxamide
CID 45503491
7-methoxy-8-methyl-2-(1-methylpyrazol-4-yl)-1H-quinolin-4-one
CID 57578738
4-Hydroxy-7-methoxy-8-methyl-2-(1-propyl-pyrazol-4-yl)-quinoline
CID 68944397
2-(1-Ethyl-pyrazol-4-yl)-4-hydroxy-7-methoxy-8-methyl-quinoline
CID 68946177
4-Hydroxy-2-(1-isobutyl-pyrazol-4-yl)-7-methoxy-8-methyl-quinoline
CID 68946315
4-Hydroxy-7-methoxy-8-methyl-2-[1-(3-methylbutyl)-pyrazol-4-yl]-quinoline
CID 68949467
4-methoxy-N-(2-methoxyethyl)-2-(piperidin-4-ylmethyl)indazole-5-carboxamide
CID 89602028
2-(azetidin-3-ylmethyl)-4-methoxy-N-(2-methoxyethyl)indazole-5-carboxamide
CID 89611348
2-(cyclooctylmethyl)-4-methoxy-N-(2-methoxyethyl)indazole-5-carboxamide
CID 134188881
2-methoxy-N-(3-methoxyphenyl)-4-(1-methylpyrazol-4-yl)benzamide
CID 135143393

Frequently Asked Questions

What is the IUPAC name of 6-amino-3-[1-(3-hydroxypropyl)pyrazol-4-yl]-2-methoxy-N-methylbenzamide?
The IUPAC name of 6-amino-3-[1-(3-hydroxypropyl)pyrazol-4-yl]-2-methoxy-N-methylbenzamide (CID 67816787) is 6-amino-3-[1-(3-hydroxypropyl)pyrazol-4-yl]-2-methoxy-N-methylbenzamide.
What is the SMILES notation for 6-amino-3-[1-(3-hydroxypropyl)pyrazol-4-yl]-2-methoxy-N-methylbenzamide?
The canonical SMILES for 6-amino-3-[1-(3-hydroxypropyl)pyrazol-4-yl]-2-methoxy-N-methylbenzamide is CNC(=O)c1c(N)ccc(-c2cnn(CCCO)c2)c1OC.
What is the InChIKey of 6-amino-3-[1-(3-hydroxypropyl)pyrazol-4-yl]-2-methoxy-N-methylbenzamide?
The InChIKey is ZCYOHTACWIQLKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4O3/c1-17-15(21)13-12(16)5-4-11(14(13)22-2)10-8-18-19(9-10)6-3-7-20/h4-5,8-9,20H,3,6-7,16H2,1-2H3,(H,17,21).
What are the key properties of 6-amino-3-[1-(3-hydroxypropyl)pyrazol-4-yl]-2-methoxy-N-methylbenzamide?
6-amino-3-[1-(3-hydroxypropyl)pyrazol-4-yl]-2-methoxy-N-methylbenzamide has a molecular weight of 304.35 g/mol, XLogP of 0.88, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-3-[1-(3-hydroxypropyl)pyrazol-4-yl]-2-methoxy-N-methylbenzamide is sourced from PubChem (CID 67816787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).