N-[5-(difluoromethyl)-1-phenylpyrazol-4-yl]-1-(oxolan-3-yl)azetidine-3-carboxamide

C18H20F2N4O2 — CID 138055085

IUPACN-[5-(difluoromethyl)-1-phenylpyrazol-4-yl]-1-(oxolan-3-yl)azetidine-3-carboxamide
SMILESO=C(Nc1cnn(-c2ccccc2)c1C(F)F)C1CN(C2CCOC2)C1
InChIInChI=1S/C18H20F2N4O2/c19-17(20)16-15(8-21-24(16)13-4-2-1-3-5-13)22-18(25)12-9-23(10-12)14-6-7-26-11-14/h1-5,8,12,14,17H,6-7,9-11H2,(H,22,25)
InChIKeyDJZSTQCAKCAXFI-UHFFFAOYSA-N
MW362.38 g/mol
LogP2.47
Rot. Bonds5

About N-[5-(difluoromethyl)-1-phenylpyrazol-4-yl]-1-(oxolan-3-yl)azetidine-3-carboxamide

N-[5-(difluoromethyl)-1-phenylpyrazol-4-yl]-1-(oxolan-3-yl)azetidine-3-carboxamide (PubChem CID 138055085) has the molecular formula C18H20F2N4O2 and a molecular weight of 362.38 g/mol. Its IUPAC name is N-[5-(difluoromethyl)-1-phenylpyrazol-4-yl]-1-(oxolan-3-yl)azetidine-3-carboxamide.

Molecular Properties

Compound NameN-[5-(difluoromethyl)-1-phenylpyrazol-4-yl]-1-(oxolan-3-yl)azetidine-3-carboxamide
PubChem CID138055085
Molecular FormulaC18H20F2N4O2
Molecular Weight362.38 g/mol
Exact Mass362.16
IUPAC NameN-[5-(difluoromethyl)-1-phenylpyrazol-4-yl]-1-(oxolan-3-yl)azetidine-3-carboxamide
SMILESO=C(Nc1cnn(-c2ccccc2)c1C(F)F)C1CN(C2CCOC2)C1
InChIInChI=1S/C18H20F2N4O2/c19-17(20)16-15(8-21-24(16)13-4-2-1-3-5-13)22-18(25)12-9-23(10-12)14-6-7-26-11-14/h1-5,8,12,14,17H,6-7,9-11H2,(H,22,25)
InChIKeyDJZSTQCAKCAXFI-UHFFFAOYSA-N
XLogP2.47
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.38
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[5-(difluoromethyl)-1-phenylpyrazol-4-yl]-1-(oxolan-3-yl)azetidine-3-carboxamide 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

(9aS)-N-(5-methyl-1-phenylpyrazol-4-yl)-3,4,6,7,9,9a-hexahydro-1H-pyrazino[2,1-c][1,4]oxazine-8-carboxamide
CID 124885834
N-(1-phenyl-5-propan-2-ylpyrazol-4-yl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-6-carboxamide
CID 138002718
N-(3,5-dimethyl-1-phenylpyrazol-4-yl)oxane-4-carboxamide
CID 51279535
N-[1-(2-chlorophenyl)-5-propan-2-ylpyrazol-4-yl]-1,4-dioxane-2-carboxamide
CID 139008448
oxan-4-yl-(2-phenylpyrazol-3-yl)methanone
CID 107330154
4-(oxolan-3-yl)-1-phenylpiperazin-2-one
CID 131900443
(3R)-N-[1-[(3S)-oxolan-3-yl]pyrazol-4-yl]oxolane-3-carboxamide
CID 97428174
2-[2-(oxane-4-carbonylamino)phenoxy]acetic acid
CID 63745167
2-(oxolan-3-yl)-3,4-dihydro-1H-isoquinoline-4-carboxylic acid
CID 65260613
N-(2-methylsulfanylphenyl)-1-(oxan-4-yl)-5-oxopyrrolidine-3-carboxamide
CID 90567869
(3S,5S)-5-[(6-methyl-3-pyridinyl)carbamoyl]-1-(oxan-4-yl)piperidine-3-carboxylic acid
CID 56889596
1-(2-fluorophenyl)-3-[1-[(3R)-oxolan-3-yl]pyrazol-4-yl]urea
CID 97428185

Frequently Asked Questions

What is the IUPAC name of N-[5-(difluoromethyl)-1-phenylpyrazol-4-yl]-1-(oxolan-3-yl)azetidine-3-carboxamide?
The IUPAC name of N-[5-(difluoromethyl)-1-phenylpyrazol-4-yl]-1-(oxolan-3-yl)azetidine-3-carboxamide (CID 138055085) is N-[5-(difluoromethyl)-1-phenylpyrazol-4-yl]-1-(oxolan-3-yl)azetidine-3-carboxamide.
What is the SMILES notation for N-[5-(difluoromethyl)-1-phenylpyrazol-4-yl]-1-(oxolan-3-yl)azetidine-3-carboxamide?
The canonical SMILES for N-[5-(difluoromethyl)-1-phenylpyrazol-4-yl]-1-(oxolan-3-yl)azetidine-3-carboxamide is O=C(Nc1cnn(-c2ccccc2)c1C(F)F)C1CN(C2CCOC2)C1.
What is the InChIKey of N-[5-(difluoromethyl)-1-phenylpyrazol-4-yl]-1-(oxolan-3-yl)azetidine-3-carboxamide?
The InChIKey is DJZSTQCAKCAXFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20F2N4O2/c19-17(20)16-15(8-21-24(16)13-4-2-1-3-5-13)22-18(25)12-9-23(10-12)14-6-7-26-11-14/h1-5,8,12,14,17H,6-7,9-11H2,(H,22,25).
What are the key properties of N-[5-(difluoromethyl)-1-phenylpyrazol-4-yl]-1-(oxolan-3-yl)azetidine-3-carboxamide?
N-[5-(difluoromethyl)-1-phenylpyrazol-4-yl]-1-(oxolan-3-yl)azetidine-3-carboxamide has a molecular weight of 362.38 g/mol, XLogP of 2.47, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(difluoromethyl)-1-phenylpyrazol-4-yl]-1-(oxolan-3-yl)azetidine-3-carboxamide is sourced from PubChem (CID 138055085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).