N-[5-(difluoromethyl)-1H-pyrazol-4-yl]cyclohexanecarboxamide

C11H15F2N3O — CID 139539367

IUPACN-[5-(difluoromethyl)-1H-pyrazol-4-yl]cyclohexanecarboxamide
SMILESO=C(Nc1cn[nH]c1C(F)F)C1CCCCC1
InChIInChI=1S/C11H15F2N3O/c12-10(13)9-8(6-14-16-9)15-11(17)7-4-2-1-3-5-7/h6-7,10H,1-5H2,(H,14,16)(H,15,17)
InChIKeyNDIVLSPLYCPZCN-UHFFFAOYSA-N
MW243.26 g/mol
LogP2.87
Rot. Bonds3

About N-[5-(difluoromethyl)-1H-pyrazol-4-yl]cyclohexanecarboxamide

N-[5-(difluoromethyl)-1H-pyrazol-4-yl]cyclohexanecarboxamide (PubChem CID 139539367) has the molecular formula C11H15F2N3O and a molecular weight of 243.26 g/mol. Its IUPAC name is N-[5-(difluoromethyl)-1H-pyrazol-4-yl]cyclohexanecarboxamide.

Molecular Properties

Compound NameN-[5-(difluoromethyl)-1H-pyrazol-4-yl]cyclohexanecarboxamide
PubChem CID139539367
Molecular FormulaC11H15F2N3O
Molecular Weight243.26 g/mol
Exact Mass243.12
IUPAC NameN-[5-(difluoromethyl)-1H-pyrazol-4-yl]cyclohexanecarboxamide
SMILESO=C(Nc1cn[nH]c1C(F)F)C1CCCCC1
InChIInChI=1S/C11H15F2N3O/c12-10(13)9-8(6-14-16-9)15-11(17)7-4-2-1-3-5-7/h6-7,10H,1-5H2,(H,14,16)(H,15,17)
InChIKeyNDIVLSPLYCPZCN-UHFFFAOYSA-N
XLogP2.87
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.26
LogP ≤ 52.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[5-(difluoromethyl)-1H-pyrazol-4-yl]cyclohexanecarboxamide?
The IUPAC name of N-[5-(difluoromethyl)-1H-pyrazol-4-yl]cyclohexanecarboxamide (CID 139539367) is N-[5-(difluoromethyl)-1H-pyrazol-4-yl]cyclohexanecarboxamide.
What is the SMILES notation for N-[5-(difluoromethyl)-1H-pyrazol-4-yl]cyclohexanecarboxamide?
The canonical SMILES for N-[5-(difluoromethyl)-1H-pyrazol-4-yl]cyclohexanecarboxamide is O=C(Nc1cn[nH]c1C(F)F)C1CCCCC1.
What is the InChIKey of N-[5-(difluoromethyl)-1H-pyrazol-4-yl]cyclohexanecarboxamide?
The InChIKey is NDIVLSPLYCPZCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15F2N3O/c12-10(13)9-8(6-14-16-9)15-11(17)7-4-2-1-3-5-7/h6-7,10H,1-5H2,(H,14,16)(H,15,17).
What are the key properties of N-[5-(difluoromethyl)-1H-pyrazol-4-yl]cyclohexanecarboxamide?
N-[5-(difluoromethyl)-1H-pyrazol-4-yl]cyclohexanecarboxamide has a molecular weight of 243.26 g/mol, XLogP of 2.87, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(difluoromethyl)-1H-pyrazol-4-yl]cyclohexanecarboxamide is sourced from PubChem (CID 139539367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).