2-(1,3-benzodioxol-5-yl)-N-[3-(4-fluorophenyl)-1-methyl-4-pyridin-4-ylpyrazol-5-yl]acetamide

C24H19FN4O3 — CID 18674023

IUPAC2-(1,3-benzodioxol-5-yl)-N-[3-(4-fluorophenyl)-1-methyl-4-pyridin-4-ylpyrazol-5-yl]acetamide
SMILESCn1nc(-c2ccc(F)cc2)c(-c2ccncc2)c1NC(=O)Cc1ccc2c(c1)OCO2
InChIInChI=1S/C24H19FN4O3/c1-29-24(27-21(30)13-15-2-7-19-20(12-15)32-14-31-19)22(16-8-10-26-11-9-16)23(28-29)17-3-5-18(25)6-4-17/h2-12H,13-14H2,1H3,(H,27,30)
InChIKeyOFZWBYSFFJBHFA-UHFFFAOYSA-N
MW430.44 g/mol
LogP4.20
Rot. Bonds5

About 2-(1,3-benzodioxol-5-yl)-N-[3-(4-fluorophenyl)-1-methyl-4-pyridin-4-ylpyrazol-5-yl]acetamide

2-(1,3-benzodioxol-5-yl)-N-[3-(4-fluorophenyl)-1-methyl-4-pyridin-4-ylpyrazol-5-yl]acetamide (PubChem CID 18674023) has the molecular formula C24H19FN4O3 and a molecular weight of 430.44 g/mol. Its IUPAC name is 2-(1,3-benzodioxol-5-yl)-N-[3-(4-fluorophenyl)-1-methyl-4-pyridin-4-ylpyrazol-5-yl]acetamide.

Molecular Properties

Compound Name2-(1,3-benzodioxol-5-yl)-N-[3-(4-fluorophenyl)-1-methyl-4-pyridin-4-ylpyrazol-5-yl]acetamide
PubChem CID18674023
Molecular FormulaC24H19FN4O3
Molecular Weight430.44 g/mol
Exact Mass430.14
IUPAC Name2-(1,3-benzodioxol-5-yl)-N-[3-(4-fluorophenyl)-1-methyl-4-pyridin-4-ylpyrazol-5-yl]acetamide
SMILESCn1nc(-c2ccc(F)cc2)c(-c2ccncc2)c1NC(=O)Cc1ccc2c(c1)OCO2
InChIInChI=1S/C24H19FN4O3/c1-29-24(27-21(30)13-15-2-7-19-20(12-15)32-14-31-19)22(16-8-10-26-11-9-16)23(28-29)17-3-5-18(25)6-4-17/h2-12H,13-14H2,1H3,(H,27,30)
InChIKeyOFZWBYSFFJBHFA-UHFFFAOYSA-N
XLogP4.20
TPSA78.27 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.44
LogP ≤ 54.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[6-(3,5-dimethylpyrazol-1-yl)-2-pyridin-2-ylpyrimidin-4-yl]-2-(4-ethoxy-3-methoxyphenyl)acetamide
CID 44454671
N-[1-(3-methylbenzyl)-1H-pyrazol-3-yl]-1,3-benzodioxole-5-carboxamide
CID 1510954
N-[2-(3,4-dimethoxyphenyl)ethyl]-5-methyl-3-phenylpyrazolo[1,5-a]pyrimidin-7-amine
CID 3842722
1-(5-Propyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)-piperidine-3-carboxylic acid (benzo[1,3]dioxol-5-ylmethyl)-amide
CID 653680
N-{1-[1-(4-ethylbenzyl)-4-piperidinyl]-1H-pyrazol-5-yl}-1,3-benzodioxole-5-carboxamide
CID 24790597
N-{1-[1-(3-methylbutyl)-4-piperidinyl]-1H-pyrazol-5-yl}-1,3-benzodioxole-5-carboxamide
CID 24791191
N-{1-[1-(2-methylbenzyl)-4-piperidinyl]-1H-pyrazol-5-yl}-1,3-benzodioxole-5-carboxamide
CID 24793227
N-[2-[1-[(E)-2-methylbut-2-enyl]-4-piperidyl]pyrazol-3-yl]-piperonylamide
CID 24793943
N-[1-(1-benzyl-4-piperidinyl)-1H-pyrazol-5-yl]-1,3-benzodioxole-5-carboxamide
CID 24794343
N-{1-[1-(4-methoxy-3-methylbenzyl)-4-piperidinyl]-1H-pyrazol-5-yl}-1,3-benzodioxole-5-carboxamide
CID 24817173
N-{1-[1-(2,6-dimethyl-5-hepten-1-yl)-4-piperidinyl]-1H-pyrazol-5-yl}-1,3-benzodioxole-5-carboxamide
CID 24819475
1-[4-(7-Amino-3-benzo[1,3]dioxol-5-yl-pyrazolo[1,5-a]pyrimidin-6-yl)-phenyl]-3-m-tolyl-urea
CID 24894407

Frequently Asked Questions

What is the IUPAC name of 2-(1,3-benzodioxol-5-yl)-N-[3-(4-fluorophenyl)-1-methyl-4-pyridin-4-ylpyrazol-5-yl]acetamide?
The IUPAC name of 2-(1,3-benzodioxol-5-yl)-N-[3-(4-fluorophenyl)-1-methyl-4-pyridin-4-ylpyrazol-5-yl]acetamide (CID 18674023) is 2-(1,3-benzodioxol-5-yl)-N-[3-(4-fluorophenyl)-1-methyl-4-pyridin-4-ylpyrazol-5-yl]acetamide.
What is the SMILES notation for 2-(1,3-benzodioxol-5-yl)-N-[3-(4-fluorophenyl)-1-methyl-4-pyridin-4-ylpyrazol-5-yl]acetamide?
The canonical SMILES for 2-(1,3-benzodioxol-5-yl)-N-[3-(4-fluorophenyl)-1-methyl-4-pyridin-4-ylpyrazol-5-yl]acetamide is Cn1nc(-c2ccc(F)cc2)c(-c2ccncc2)c1NC(=O)Cc1ccc2c(c1)OCO2.
What is the InChIKey of 2-(1,3-benzodioxol-5-yl)-N-[3-(4-fluorophenyl)-1-methyl-4-pyridin-4-ylpyrazol-5-yl]acetamide?
The InChIKey is OFZWBYSFFJBHFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19FN4O3/c1-29-24(27-21(30)13-15-2-7-19-20(12-15)32-14-31-19)22(16-8-10-26-11-9-16)23(28-29)17-3-5-18(25)6-4-17/h2-12H,13-14H2,1H3,(H,27,30).
What are the key properties of 2-(1,3-benzodioxol-5-yl)-N-[3-(4-fluorophenyl)-1-methyl-4-pyridin-4-ylpyrazol-5-yl]acetamide?
2-(1,3-benzodioxol-5-yl)-N-[3-(4-fluorophenyl)-1-methyl-4-pyridin-4-ylpyrazol-5-yl]acetamide has a molecular weight of 430.44 g/mol, XLogP of 4.20, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,3-benzodioxol-5-yl)-N-[3-(4-fluorophenyl)-1-methyl-4-pyridin-4-ylpyrazol-5-yl]acetamide is sourced from PubChem (CID 18674023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).