N-[1-[5-(4-chlorophenyl)-1H-pyrazol-3-yl]pyrrolidin-3-yl]-2-(4-methoxyphenyl)acetamide

C22H23ClN4O2 — CID 91888012

IUPACN-[1-[5-(4-chlorophenyl)-1H-pyrazol-3-yl]pyrrolidin-3-yl]-2-(4-methoxyphenyl)acetamide
SMILESCOc1ccc(CC(=O)NC2CCN(c3cc(-c4ccc(Cl)cc4)[nH]n3)C2)cc1
InChIInChI=1S/C22H23ClN4O2/c1-29-19-8-2-15(3-9-19)12-22(28)24-18-10-11-27(14-18)21-13-20(25-26-21)16-4-6-17(23)7-5-16/h2-9,13,18H,10-12,14H2,1H3,(H,24,28)(H,25,26)
InChIKeyUCHRDVAMDMXJCB-UHFFFAOYSA-N
MW410.91 g/mol
LogP3.68
Rot. Bonds6

About N-[1-[5-(4-chlorophenyl)-1H-pyrazol-3-yl]pyrrolidin-3-yl]-2-(4-methoxyphenyl)acetamide

N-[1-[5-(4-chlorophenyl)-1H-pyrazol-3-yl]pyrrolidin-3-yl]-2-(4-methoxyphenyl)acetamide (PubChem CID 91888012) has the molecular formula C22H23ClN4O2 and a molecular weight of 410.91 g/mol. Its IUPAC name is N-[1-[5-(4-chlorophenyl)-1H-pyrazol-3-yl]pyrrolidin-3-yl]-2-(4-methoxyphenyl)acetamide.

Molecular Properties

Compound NameN-[1-[5-(4-chlorophenyl)-1H-pyrazol-3-yl]pyrrolidin-3-yl]-2-(4-methoxyphenyl)acetamide
PubChem CID91888012
Molecular FormulaC22H23ClN4O2
Molecular Weight410.91 g/mol
Exact Mass410.15
IUPAC NameN-[1-[5-(4-chlorophenyl)-1H-pyrazol-3-yl]pyrrolidin-3-yl]-2-(4-methoxyphenyl)acetamide
SMILESCOc1ccc(CC(=O)NC2CCN(c3cc(-c4ccc(Cl)cc4)[nH]n3)C2)cc1
InChIInChI=1S/C22H23ClN4O2/c1-29-19-8-2-15(3-9-19)12-22(28)24-18-10-11-27(14-18)21-13-20(25-26-21)16-4-6-17(23)7-5-16/h2-9,13,18H,10-12,14H2,1H3,(H,24,28)(H,25,26)
InChIKeyUCHRDVAMDMXJCB-UHFFFAOYSA-N
XLogP3.68
TPSA70.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.91
LogP ≤ 53.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

Way-361789
CID 24860582
N-{1-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]pyrrolidin-3-yl}-3-(trifluoromethoxy)benzamide
CID 91888103
1-{4-[3-(4-Chlorophenyl)-1H-pyrazol-5-YL]-1,4-diazepan-1-YL}-3-(2-methoxyphenyl)propan-1-one
CID 91904666
5-[1,4]Diazepan-1-yl-pentanoic acid [5-(4-methoxy-phenyl)-2H-pyrazol-3-yl]-amide
CID 44136698
6-(4-Acetyl-[1,4]diazepan-1-yl)-hexanoic acid [5-(4-methoxy-phenyl)-1H-pyrazol-3-yl]-amide
CID 67274463
1-(3-fluorobenzoyl)-4-[3-(4-methoxyphenyl)-1H-pyrazol-5-yl]-1,4-diazepane
CID 75527198
2-fluoro-N-{1-[3-(4-methoxyphenyl)-1H-pyrazol-5-yl]piperidin-3-yl}benzamide
CID 91887918
2-chloro-4-fluoro-N-{1-[3-(4-methoxyphenyl)-1H-pyrazol-5-yl]piperidin-3-yl}benzamide
CID 91887960
5-chloro-2-fluoro-N-{1-[3-(4-methoxyphenyl)-1H-pyrazol-5-yl]pyrrolidin-3-yl}benzamide
CID 91888217
1-(3-chloro-4-fluorobenzoyl)-4-[3-(4-methoxyphenyl)-1H-pyrazol-5-yl]-1,4-diazepane
CID 75527206
1-[3-(4-chlorophenyl)-1H-pyrazol-5-yl]-4-(3-fluoro-4-methoxybenzoyl)piperazine
CID 75527313
2,4-difluoro-N-{1-[3-(4-methoxyphenyl)-1H-pyrazol-5-yl]piperidin-4-yl}benzamide
CID 75528351

Frequently Asked Questions

What is the IUPAC name of N-[1-[5-(4-chlorophenyl)-1H-pyrazol-3-yl]pyrrolidin-3-yl]-2-(4-methoxyphenyl)acetamide?
The IUPAC name of N-[1-[5-(4-chlorophenyl)-1H-pyrazol-3-yl]pyrrolidin-3-yl]-2-(4-methoxyphenyl)acetamide (CID 91888012) is N-[1-[5-(4-chlorophenyl)-1H-pyrazol-3-yl]pyrrolidin-3-yl]-2-(4-methoxyphenyl)acetamide.
What is the SMILES notation for N-[1-[5-(4-chlorophenyl)-1H-pyrazol-3-yl]pyrrolidin-3-yl]-2-(4-methoxyphenyl)acetamide?
The canonical SMILES for N-[1-[5-(4-chlorophenyl)-1H-pyrazol-3-yl]pyrrolidin-3-yl]-2-(4-methoxyphenyl)acetamide is COc1ccc(CC(=O)NC2CCN(c3cc(-c4ccc(Cl)cc4)[nH]n3)C2)cc1.
What is the InChIKey of N-[1-[5-(4-chlorophenyl)-1H-pyrazol-3-yl]pyrrolidin-3-yl]-2-(4-methoxyphenyl)acetamide?
The InChIKey is UCHRDVAMDMXJCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23ClN4O2/c1-29-19-8-2-15(3-9-19)12-22(28)24-18-10-11-27(14-18)21-13-20(25-26-21)16-4-6-17(23)7-5-16/h2-9,13,18H,10-12,14H2,1H3,(H,24,28)(H,25,26).
What are the key properties of N-[1-[5-(4-chlorophenyl)-1H-pyrazol-3-yl]pyrrolidin-3-yl]-2-(4-methoxyphenyl)acetamide?
N-[1-[5-(4-chlorophenyl)-1H-pyrazol-3-yl]pyrrolidin-3-yl]-2-(4-methoxyphenyl)acetamide has a molecular weight of 410.91 g/mol, XLogP of 3.68, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[5-(4-chlorophenyl)-1H-pyrazol-3-yl]pyrrolidin-3-yl]-2-(4-methoxyphenyl)acetamide is sourced from PubChem (CID 91888012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).