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

C9H14F2N6 — CID 174037690

IUPAC5-(difluoromethyl)-N'-piperazin-1-yl-1H-pyrazole-4-carboximidamide
SMILESNC(=NN1CCNCC1)c1cn[nH]c1C(F)F
InChIInChI=1S/C9H14F2N6/c10-8(11)7-6(5-14-15-7)9(12)16-17-3-1-13-2-4-17/h5,8,13H,1-4H2,(H2,12,16)(H,14,15)
InChIKeyGUPPROJNAZUMDZ-UHFFFAOYSA-N
MW244.25 g/mol
LogP-0.13
Rot. Bonds3

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

5-(difluoromethyl)-N'-piperazin-1-yl-1H-pyrazole-4-carboximidamide (PubChem CID 174037690) has the molecular formula C9H14F2N6 and a molecular weight of 244.25 g/mol. Its IUPAC name is 5-(difluoromethyl)-N'-piperazin-1-yl-1H-pyrazole-4-carboximidamide.

Molecular Properties

Compound Name5-(difluoromethyl)-N'-piperazin-1-yl-1H-pyrazole-4-carboximidamide
PubChem CID174037690
Molecular FormulaC9H14F2N6
Molecular Weight244.25 g/mol
Exact Mass244.12
IUPAC Name5-(difluoromethyl)-N'-piperazin-1-yl-1H-pyrazole-4-carboximidamide
SMILESNC(=NN1CCNCC1)c1cn[nH]c1C(F)F
InChIInChI=1S/C9H14F2N6/c10-8(11)7-6(5-14-15-7)9(12)16-17-3-1-13-2-4-17/h5,8,13H,1-4H2,(H2,12,16)(H,14,15)
InChIKeyGUPPROJNAZUMDZ-UHFFFAOYSA-N
XLogP-0.13
TPSA82.33 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.25
LogP ≤ 5-0.13
H-Bond Donors ≤ 53
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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Frequently Asked Questions

What is the IUPAC name of 5-(difluoromethyl)-N'-piperazin-1-yl-1H-pyrazole-4-carboximidamide?
The IUPAC name of 5-(difluoromethyl)-N'-piperazin-1-yl-1H-pyrazole-4-carboximidamide (CID 174037690) is 5-(difluoromethyl)-N'-piperazin-1-yl-1H-pyrazole-4-carboximidamide.
What is the SMILES notation for 5-(difluoromethyl)-N'-piperazin-1-yl-1H-pyrazole-4-carboximidamide?
The canonical SMILES for 5-(difluoromethyl)-N'-piperazin-1-yl-1H-pyrazole-4-carboximidamide is NC(=NN1CCNCC1)c1cn[nH]c1C(F)F.
What is the InChIKey of 5-(difluoromethyl)-N'-piperazin-1-yl-1H-pyrazole-4-carboximidamide?
The InChIKey is GUPPROJNAZUMDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14F2N6/c10-8(11)7-6(5-14-15-7)9(12)16-17-3-1-13-2-4-17/h5,8,13H,1-4H2,(H2,12,16)(H,14,15).
What are the key properties of 5-(difluoromethyl)-N'-piperazin-1-yl-1H-pyrazole-4-carboximidamide?
5-(difluoromethyl)-N'-piperazin-1-yl-1H-pyrazole-4-carboximidamide has a molecular weight of 244.25 g/mol, XLogP of -0.13, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(difluoromethyl)-N'-piperazin-1-yl-1H-pyrazole-4-carboximidamide is sourced from PubChem (CID 174037690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).