N-[5-(3,5-difluorophenyl)-1H-pyrazol-3-yl]-2-[3-(2-oxopyrrolidin-1-yl)phenyl]acetamide

C21H18F2N4O2 — CID 154840400

IUPACN-[5-(3,5-difluorophenyl)-1H-pyrazol-3-yl]-2-[3-(2-oxopyrrolidin-1-yl)phenyl]acetamide
SMILESO=C(Cc1cccc(N2CCCC2=O)c1)Nc1cc(-c2cc(F)cc(F)c2)[nH]n1
InChIInChI=1S/C21H18F2N4O2/c22-15-9-14(10-16(23)11-15)18-12-19(26-25-18)24-20(28)8-13-3-1-4-17(7-13)27-6-2-5-21(27)29/h1,3-4,7,9-12H,2,5-6,8H2,(H2,24,25,26,28)
InChIKeyBPIZCVJBRLDNJW-UHFFFAOYSA-N
MW396.40 g/mol
LogP3.66
Rot. Bonds5

About N-[5-(3,5-difluorophenyl)-1H-pyrazol-3-yl]-2-[3-(2-oxopyrrolidin-1-yl)phenyl]acetamide

N-[5-(3,5-difluorophenyl)-1H-pyrazol-3-yl]-2-[3-(2-oxopyrrolidin-1-yl)phenyl]acetamide (PubChem CID 154840400) has the molecular formula C21H18F2N4O2 and a molecular weight of 396.40 g/mol. Its IUPAC name is N-[5-(3,5-difluorophenyl)-1H-pyrazol-3-yl]-2-[3-(2-oxopyrrolidin-1-yl)phenyl]acetamide.

Molecular Properties

Compound NameN-[5-(3,5-difluorophenyl)-1H-pyrazol-3-yl]-2-[3-(2-oxopyrrolidin-1-yl)phenyl]acetamide
PubChem CID154840400
Molecular FormulaC21H18F2N4O2
Molecular Weight396.40 g/mol
Exact Mass396.14
IUPAC NameN-[5-(3,5-difluorophenyl)-1H-pyrazol-3-yl]-2-[3-(2-oxopyrrolidin-1-yl)phenyl]acetamide
SMILESO=C(Cc1cccc(N2CCCC2=O)c1)Nc1cc(-c2cc(F)cc(F)c2)[nH]n1
InChIInChI=1S/C21H18F2N4O2/c22-15-9-14(10-16(23)11-15)18-12-19(26-25-18)24-20(28)8-13-3-1-4-17(7-13)27-6-2-5-21(27)29/h1,3-4,7,9-12H,2,5-6,8H2,(H2,24,25,26,28)
InChIKeyBPIZCVJBRLDNJW-UHFFFAOYSA-N
XLogP3.66
TPSA78.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.40
LogP ≤ 53.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[3-(2-oxopyrrolidin-1-yl)phenyl]-N-(4-pyridin-4-yloxyphenyl)acetamide
CID 166225103
3-[2-oxo-2-[3-(2-oxopiperidin-1-yl)anilino]ethyl]benzoic acid
CID 120549405
1-[(4-fluorophenyl)methyl]-3-[3-(2-oxopyrrolidin-1-yl)phenyl]urea
CID 38169682
N-[(4-fluorophenyl)methyl]-3-(2-oxopyrrolidin-1-yl)benzamide
CID 3466711
N-[4-(2-oxopyrrolidin-1-yl)phenyl]-2-[3-(trifluoromethyl)phenyl]acetamide
CID 8716542
1-[3-(ethylaminomethyl)phenyl]pyrrolidin-2-one
CID 63272633
2-(4-fluorophenyl)-N-[4-(2-oxopiperidin-1-yl)phenyl]acetamide
CID 7687249
1-[3-[(chloroamino)methyl]phenyl]pyrrolidin-2-one
CID 88577305
3,3-dimethyl-N-[[3-(2-oxopyrrolidin-1-yl)phenyl]methyl]butanamide
CID 39004153
N-[[3-(2-oxopiperidin-1-yl)phenyl]methyl]-5-propyl-1H-pyrazole-3-carboxamide
CID 71886757
1-(2,6-difluorophenyl)-3-[[3-(2-oxopyrrolidin-1-yl)phenyl]methyl]thiourea
CID 100710031
1-[3-(aminomethyl)phenyl]pyrrolidin-2-one;hydrochloride
CID 68967881

Frequently Asked Questions

What is the IUPAC name of N-[5-(3,5-difluorophenyl)-1H-pyrazol-3-yl]-2-[3-(2-oxopyrrolidin-1-yl)phenyl]acetamide?
The IUPAC name of N-[5-(3,5-difluorophenyl)-1H-pyrazol-3-yl]-2-[3-(2-oxopyrrolidin-1-yl)phenyl]acetamide (CID 154840400) is N-[5-(3,5-difluorophenyl)-1H-pyrazol-3-yl]-2-[3-(2-oxopyrrolidin-1-yl)phenyl]acetamide.
What is the SMILES notation for N-[5-(3,5-difluorophenyl)-1H-pyrazol-3-yl]-2-[3-(2-oxopyrrolidin-1-yl)phenyl]acetamide?
The canonical SMILES for N-[5-(3,5-difluorophenyl)-1H-pyrazol-3-yl]-2-[3-(2-oxopyrrolidin-1-yl)phenyl]acetamide is O=C(Cc1cccc(N2CCCC2=O)c1)Nc1cc(-c2cc(F)cc(F)c2)[nH]n1.
What is the InChIKey of N-[5-(3,5-difluorophenyl)-1H-pyrazol-3-yl]-2-[3-(2-oxopyrrolidin-1-yl)phenyl]acetamide?
The InChIKey is BPIZCVJBRLDNJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18F2N4O2/c22-15-9-14(10-16(23)11-15)18-12-19(26-25-18)24-20(28)8-13-3-1-4-17(7-13)27-6-2-5-21(27)29/h1,3-4,7,9-12H,2,5-6,8H2,(H2,24,25,26,28).
What are the key properties of N-[5-(3,5-difluorophenyl)-1H-pyrazol-3-yl]-2-[3-(2-oxopyrrolidin-1-yl)phenyl]acetamide?
N-[5-(3,5-difluorophenyl)-1H-pyrazol-3-yl]-2-[3-(2-oxopyrrolidin-1-yl)phenyl]acetamide has a molecular weight of 396.40 g/mol, XLogP of 3.66, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(3,5-difluorophenyl)-1H-pyrazol-3-yl]-2-[3-(2-oxopyrrolidin-1-yl)phenyl]acetamide is sourced from PubChem (CID 154840400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).