N-[2-[4-(3,8-diazabicyclo[3.2.1]octan-3-yl)-3-[1-(difluoromethyl)pyrazol-4-yl]phenyl]ethyl]acetamide

C20H25F2N5O — CID 177260685

IUPACN-[2-[4-(3,8-diazabicyclo[3.2.1]octan-3-yl)-3-[1-(difluoromethyl)pyrazol-4-yl]phenyl]ethyl]acetamide
SMILESCC(=O)NCCc1ccc(N2CC3CCC(C2)N3)c(-c2cnn(C(F)F)c2)c1
InChIInChI=1S/C20H25F2N5O/c1-13(28)23-7-6-14-2-5-19(26-11-16-3-4-17(12-26)25-16)18(8-14)15-9-24-27(10-15)20(21)22/h2,5,8-10,16-17,20,25H,3-4,6-7,11-12H2,1H3,(H,23,28)
InChIKeyGFJFZPZOIJWXFH-UHFFFAOYSA-N
MW389.45 g/mol
LogP2.56
Rot. Bonds6

About N-[2-[4-(3,8-diazabicyclo[3.2.1]octan-3-yl)-3-[1-(difluoromethyl)pyrazol-4-yl]phenyl]ethyl]acetamide

N-[2-[4-(3,8-diazabicyclo[3.2.1]octan-3-yl)-3-[1-(difluoromethyl)pyrazol-4-yl]phenyl]ethyl]acetamide (PubChem CID 177260685) has the molecular formula C20H25F2N5O and a molecular weight of 389.45 g/mol. Its IUPAC name is N-[2-[4-(3,8-diazabicyclo[3.2.1]octan-3-yl)-3-[1-(difluoromethyl)pyrazol-4-yl]phenyl]ethyl]acetamide.

Molecular Properties

Compound NameN-[2-[4-(3,8-diazabicyclo[3.2.1]octan-3-yl)-3-[1-(difluoromethyl)pyrazol-4-yl]phenyl]ethyl]acetamide
PubChem CID177260685
Molecular FormulaC20H25F2N5O
Molecular Weight389.45 g/mol
Exact Mass389.20
IUPAC NameN-[2-[4-(3,8-diazabicyclo[3.2.1]octan-3-yl)-3-[1-(difluoromethyl)pyrazol-4-yl]phenyl]ethyl]acetamide
SMILESCC(=O)NCCc1ccc(N2CC3CCC(C2)N3)c(-c2cnn(C(F)F)c2)c1
InChIInChI=1S/C20H25F2N5O/c1-13(28)23-7-6-14-2-5-19(26-11-16-3-4-17(12-26)25-16)18(8-14)15-9-24-27(10-15)20(21)22/h2,5,8-10,16-17,20,25H,3-4,6-7,11-12H2,1H3,(H,23,28)
InChIKeyGFJFZPZOIJWXFH-UHFFFAOYSA-N
XLogP2.56
TPSA62.19 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.45
LogP ≤ 52.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-[2-[4-(3,8-diazabicyclo[3.2.1]octan-3-yl)-3-[1-(difluoromethyl)pyrazol-4-yl]phenyl]ethyl]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[[3-[1-(difluoromethyl)pyrazol-4-yl]-4-fluorophenyl]methyl]propan-1-amine
CID 171392311
N-[2-[4-(cyclopropanecarbonyl)phenyl]ethyl]acetamide
CID 20803106
4-acetyl-N-[2-[4-(3,8-diazabicyclo[3.2.1]octan-3-yl)phenyl]ethyl]pyrrolo[2,3-d][1,2]oxazole-6-carboxamide
CID 177260563
N-[2-[4-[(1R,5S)-3,8-diazabicyclo[3.2.1]octan-3-yl]phenyl]ethyl]-5,6-dimethyl-3-(methylamino)thieno[2,3-b]pyridine-2-carboxamide
CID 164809933
N-[2-[4-[(1R,5S)-3,8-diazabicyclo[3.2.1]octan-3-yl]phenyl]ethyl]-3-ethyl-2-methyl-7-(methylamino)thieno[2,3-b]pyrazine-6-carboxamide
CID 155277588
4-[1-(difluoromethyl)pyrazol-4-yl]-2-methylbenzoic acid
CID 171392245
2-[6-[[(1R,5S)-9-azabicyclo[3.3.1]nonan-3-yl]-methylamino]pyridazin-3-yl]-5-[1-(difluoromethyl)pyrazol-4-yl]phenol
CID 137464840
N-[2-[4-(3,8-diazabicyclo[3.2.1]octan-3-yl)-2,5-difluorophenyl]ethyl]-1-ethylpyrrolo[2,3-b]pyridine-5-carboxamide
CID 146349663
tert-butyl N-[(3R,4S)-1-[2-chloro-5-[1-(difluoromethyl)pyrazol-4-yl]-4-pyridinyl]-3-methylpiperidin-4-yl]carbamate
CID 172626334
N-[2-[4-(pyrrolidin-1-ylmethyl)phenyl]ethyl]acetamide
CID 142872622
N-[2-(3,4-dimethoxyphenyl)ethyl]acetamide;trihydrate
CID 70552532
N'-(2-acetamidoethyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]oxamide
CID 108506297

Frequently Asked Questions

What is the IUPAC name of N-[2-[4-(3,8-diazabicyclo[3.2.1]octan-3-yl)-3-[1-(difluoromethyl)pyrazol-4-yl]phenyl]ethyl]acetamide?
The IUPAC name of N-[2-[4-(3,8-diazabicyclo[3.2.1]octan-3-yl)-3-[1-(difluoromethyl)pyrazol-4-yl]phenyl]ethyl]acetamide (CID 177260685) is N-[2-[4-(3,8-diazabicyclo[3.2.1]octan-3-yl)-3-[1-(difluoromethyl)pyrazol-4-yl]phenyl]ethyl]acetamide.
What is the SMILES notation for N-[2-[4-(3,8-diazabicyclo[3.2.1]octan-3-yl)-3-[1-(difluoromethyl)pyrazol-4-yl]phenyl]ethyl]acetamide?
The canonical SMILES for N-[2-[4-(3,8-diazabicyclo[3.2.1]octan-3-yl)-3-[1-(difluoromethyl)pyrazol-4-yl]phenyl]ethyl]acetamide is CC(=O)NCCc1ccc(N2CC3CCC(C2)N3)c(-c2cnn(C(F)F)c2)c1.
What is the InChIKey of N-[2-[4-(3,8-diazabicyclo[3.2.1]octan-3-yl)-3-[1-(difluoromethyl)pyrazol-4-yl]phenyl]ethyl]acetamide?
The InChIKey is GFJFZPZOIJWXFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25F2N5O/c1-13(28)23-7-6-14-2-5-19(26-11-16-3-4-17(12-26)25-16)18(8-14)15-9-24-27(10-15)20(21)22/h2,5,8-10,16-17,20,25H,3-4,6-7,11-12H2,1H3,(H,23,28).
What are the key properties of N-[2-[4-(3,8-diazabicyclo[3.2.1]octan-3-yl)-3-[1-(difluoromethyl)pyrazol-4-yl]phenyl]ethyl]acetamide?
N-[2-[4-(3,8-diazabicyclo[3.2.1]octan-3-yl)-3-[1-(difluoromethyl)pyrazol-4-yl]phenyl]ethyl]acetamide has a molecular weight of 389.45 g/mol, XLogP of 2.56, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-(3,8-diazabicyclo[3.2.1]octan-3-yl)-3-[1-(difluoromethyl)pyrazol-4-yl]phenyl]ethyl]acetamide is sourced from PubChem (CID 177260685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).