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

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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).