5-(difluoromethyl)-N'-morpholin-4-yl-1H-pyrazole-4-carboximidamide

C9H13F2N5O — CID 174037667

IUPAC5-(difluoromethyl)-N'-morpholin-4-yl-1H-pyrazole-4-carboximidamide
SMILESNC(=NN1CCOCC1)c1cn[nH]c1C(F)F
InChIInChI=1S/C9H13F2N5O/c10-8(11)7-6(5-13-14-7)9(12)15-16-1-3-17-4-2-16/h5,8H,1-4H2,(H2,12,15)(H,13,14)
InChIKeyAUPRFXJNEDSHSJ-UHFFFAOYSA-N
MW245.23 g/mol
LogP0.30
Rot. Bonds3

About 5-(difluoromethyl)-N'-morpholin-4-yl-1H-pyrazole-4-carboximidamide

5-(difluoromethyl)-N'-morpholin-4-yl-1H-pyrazole-4-carboximidamide (PubChem CID 174037667) has the molecular formula C9H13F2N5O and a molecular weight of 245.23 g/mol. Its IUPAC name is 5-(difluoromethyl)-N'-morpholin-4-yl-1H-pyrazole-4-carboximidamide.

Molecular Properties

Compound Name5-(difluoromethyl)-N'-morpholin-4-yl-1H-pyrazole-4-carboximidamide
PubChem CID174037667
Molecular FormulaC9H13F2N5O
Molecular Weight245.23 g/mol
Exact Mass245.11
IUPAC Name5-(difluoromethyl)-N'-morpholin-4-yl-1H-pyrazole-4-carboximidamide
SMILESNC(=NN1CCOCC1)c1cn[nH]c1C(F)F
InChIInChI=1S/C9H13F2N5O/c10-8(11)7-6(5-13-14-7)9(12)15-16-1-3-17-4-2-16/h5,8H,1-4H2,(H2,12,15)(H,13,14)
InChIKeyAUPRFXJNEDSHSJ-UHFFFAOYSA-N
XLogP0.30
TPSA79.53 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.23
LogP ≤ 50.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

4-[[5-(trifluoromethyl)-1H-pyrazol-4-yl]methyl]morpholine
CID 68046364
(E)-3-morpholin-4-yl-1-[5-(trifluoromethyl)-1H-pyrazol-4-yl]but-2-en-1-imine
CID 145403085
1-[5-(difluoromethyl)-1H-pyrazol-4-yl]-3-imino-3-morpholin-4-ylprop-1-en-1-amine
CID 162606752
3-imino-3-morpholin-4-yl-1-[5-(trifluoromethyl)-1H-pyrazol-4-yl]prop-1-en-1-amine
CID 174037648
5-(difluoromethyl)-N'-piperazin-1-yl-1H-pyrazole-4-carboximidamide
CID 174037690
N'-piperazin-1-yl-5-(trifluoromethyl)-1H-pyrazole-4-carboximidamide
CID 174037691
N'-morpholin-4-yl-5-(trifluoromethyl)-1H-pyrazole-4-carboximidamide
CID 174037694
N-[(5-methyl-1H-pyrazol-4-yl)methyl]-2-(2,2,2-trifluoroethoxy)ethanamine
CID 61068856
2-methoxy-N-[[5-(trifluoromethyl)-1H-pyrazol-4-yl]methyl]ethanamine
CID 66442457
N-[[5-(difluoromethyl)-1H-pyrazol-4-yl]methyl]-2-methoxyethanamine
CID 66442659
2-(2,2-difluoroethoxy)-N-[(5-methyl-1H-pyrazol-4-yl)methyl]ethanamine
CID 103081054
(E)-1-[5-(difluoromethyl)-1H-pyrazol-4-yl]-3-[(3S)-3-methylmorpholin-4-yl]but-2-en-1-imine
CID 149146643

Frequently Asked Questions

What is the IUPAC name of 5-(difluoromethyl)-N'-morpholin-4-yl-1H-pyrazole-4-carboximidamide?
The IUPAC name of 5-(difluoromethyl)-N'-morpholin-4-yl-1H-pyrazole-4-carboximidamide (CID 174037667) is 5-(difluoromethyl)-N'-morpholin-4-yl-1H-pyrazole-4-carboximidamide.
What is the SMILES notation for 5-(difluoromethyl)-N'-morpholin-4-yl-1H-pyrazole-4-carboximidamide?
The canonical SMILES for 5-(difluoromethyl)-N'-morpholin-4-yl-1H-pyrazole-4-carboximidamide is NC(=NN1CCOCC1)c1cn[nH]c1C(F)F.
What is the InChIKey of 5-(difluoromethyl)-N'-morpholin-4-yl-1H-pyrazole-4-carboximidamide?
The InChIKey is AUPRFXJNEDSHSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13F2N5O/c10-8(11)7-6(5-13-14-7)9(12)15-16-1-3-17-4-2-16/h5,8H,1-4H2,(H2,12,15)(H,13,14).
What are the key properties of 5-(difluoromethyl)-N'-morpholin-4-yl-1H-pyrazole-4-carboximidamide?
5-(difluoromethyl)-N'-morpholin-4-yl-1H-pyrazole-4-carboximidamide has a molecular weight of 245.23 g/mol, XLogP of 0.30, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(difluoromethyl)-N'-morpholin-4-yl-1H-pyrazole-4-carboximidamide is sourced from PubChem (CID 174037667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).