N-[1-(2,2-difluoroethyl)pyrazol-4-yl]-2-propan-2-ylmorpholine-4-carboxamide

C13H20F2N4O2 — CID 75448476

IUPACN-[1-(2,2-difluoroethyl)pyrazol-4-yl]-2-propan-2-ylmorpholine-4-carboxamide
SMILESCC(C)C1CN(C(=O)Nc2cnn(CC(F)F)c2)CCO1
InChIInChI=1S/C13H20F2N4O2/c1-9(2)11-7-18(3-4-21-11)13(20)17-10-5-16-19(6-10)8-12(14)15/h5-6,9,11-12H,3-4,7-8H2,1-2H3,(H,17,20)
InChIKeyNJIKZVXUNWXVSX-UHFFFAOYSA-N
MW302.33 g/mol
LogP2.04
Rot. Bonds4

About N-[1-(2,2-difluoroethyl)pyrazol-4-yl]-2-propan-2-ylmorpholine-4-carboxamide

N-[1-(2,2-difluoroethyl)pyrazol-4-yl]-2-propan-2-ylmorpholine-4-carboxamide (PubChem CID 75448476) has the molecular formula C13H20F2N4O2 and a molecular weight of 302.33 g/mol. Its IUPAC name is N-[1-(2,2-difluoroethyl)pyrazol-4-yl]-2-propan-2-ylmorpholine-4-carboxamide.

Molecular Properties

Compound NameN-[1-(2,2-difluoroethyl)pyrazol-4-yl]-2-propan-2-ylmorpholine-4-carboxamide
PubChem CID75448476
Molecular FormulaC13H20F2N4O2
Molecular Weight302.33 g/mol
Exact Mass302.16
IUPAC NameN-[1-(2,2-difluoroethyl)pyrazol-4-yl]-2-propan-2-ylmorpholine-4-carboxamide
SMILESCC(C)C1CN(C(=O)Nc2cnn(CC(F)F)c2)CCO1
InChIInChI=1S/C13H20F2N4O2/c1-9(2)11-7-18(3-4-21-11)13(20)17-10-5-16-19(6-10)8-12(14)15/h5-6,9,11-12H,3-4,7-8H2,1-2H3,(H,17,20)
InChIKeyNJIKZVXUNWXVSX-UHFFFAOYSA-N
XLogP2.04
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.33
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-(2,2-difluoroethyl)pyrazol-4-yl]-4-(2,2-dimethylpropanoyl)piperazine-1-carboxamide
CID 71984828
(2R)-N-(3,5-difluoro-4-methoxyphenyl)-2-propan-2-ylmorpholine-4-carboxamide
CID 97340325
N-[1-(2,2-difluoroethyl)pyrazol-4-yl]-7-methyl-1,1-dioxo-1,4-thiazepane-4-carboxamide
CID 146076168
N-[1-(2,2-difluoroethyl)pyrazol-4-yl]-2,2-dimethylcyclopropane-1-carboxamide
CID 136517272
1-[1-(2,2-difluoroethyl)pyrazol-4-yl]-3-(1-hydroxy-4-methylpentan-3-yl)urea
CID 111521235
(2R)-N-[1-(2-amino-2-oxoethyl)pyrazol-4-yl]-2-(4-fluorophenyl)morpholine-4-carboxamide
CID 95134155
4-[(2-propan-2-ylmorpholine-4-carbonyl)amino]butanoic acid
CID 122022926
2-amino-N-[1-(2,2-difluoroethyl)pyrazol-4-yl]pentanamide
CID 119328796
1-cyclohexyl-3-[1-(2,2-difluoroethyl)pyrazol-4-yl]-1-methylurea
CID 126780377
N-tert-butyl-2-[[1-(2,2-difluoroethyl)pyrazol-4-yl]amino]propanamide
CID 86791911
N-[1-(2,2-difluoroethyl)pyrazol-4-yl]-1-hydroxycyclopentane-1-carboxamide
CID 111458225
N-[1-(2,2-difluoroethyl)pyrazol-4-yl]piperidine-4-carboxamide;hydrochloride
CID 119328781

Frequently Asked Questions

What is the IUPAC name of N-[1-(2,2-difluoroethyl)pyrazol-4-yl]-2-propan-2-ylmorpholine-4-carboxamide?
The IUPAC name of N-[1-(2,2-difluoroethyl)pyrazol-4-yl]-2-propan-2-ylmorpholine-4-carboxamide (CID 75448476) is N-[1-(2,2-difluoroethyl)pyrazol-4-yl]-2-propan-2-ylmorpholine-4-carboxamide.
What is the SMILES notation for N-[1-(2,2-difluoroethyl)pyrazol-4-yl]-2-propan-2-ylmorpholine-4-carboxamide?
The canonical SMILES for N-[1-(2,2-difluoroethyl)pyrazol-4-yl]-2-propan-2-ylmorpholine-4-carboxamide is CC(C)C1CN(C(=O)Nc2cnn(CC(F)F)c2)CCO1.
What is the InChIKey of N-[1-(2,2-difluoroethyl)pyrazol-4-yl]-2-propan-2-ylmorpholine-4-carboxamide?
The InChIKey is NJIKZVXUNWXVSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20F2N4O2/c1-9(2)11-7-18(3-4-21-11)13(20)17-10-5-16-19(6-10)8-12(14)15/h5-6,9,11-12H,3-4,7-8H2,1-2H3,(H,17,20).
What are the key properties of N-[1-(2,2-difluoroethyl)pyrazol-4-yl]-2-propan-2-ylmorpholine-4-carboxamide?
N-[1-(2,2-difluoroethyl)pyrazol-4-yl]-2-propan-2-ylmorpholine-4-carboxamide has a molecular weight of 302.33 g/mol, XLogP of 2.04, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2,2-difluoroethyl)pyrazol-4-yl]-2-propan-2-ylmorpholine-4-carboxamide is sourced from PubChem (CID 75448476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).