1-(difluoromethyl)-N-[3-(tetrazol-2-yl)-1-adamantyl]pyrazole-3-carboxamide

C16H19F2N7O — CID 131932557

IUPAC1-(difluoromethyl)-N-[3-(tetrazol-2-yl)-1-adamantyl]pyrazole-3-carboxamide
SMILESO=C(NC12CC3CC(C1)CC(n1ncnn1)(C3)C2)c1ccn(C(F)F)n1
InChIInChI=1S/C16H19F2N7O/c17-14(18)24-2-1-12(22-24)13(26)21-15-4-10-3-11(5-15)7-16(6-10,8-15)25-20-9-19-23-25/h1-2,9-11,14H,3-8H2,(H,21,26)
InChIKeyMAEHUDHIAXDITI-UHFFFAOYSA-N
MW363.37 g/mol
LogP1.74
Rot. Bonds4

About 1-(difluoromethyl)-N-[3-(tetrazol-2-yl)-1-adamantyl]pyrazole-3-carboxamide

1-(difluoromethyl)-N-[3-(tetrazol-2-yl)-1-adamantyl]pyrazole-3-carboxamide (PubChem CID 131932557) has the molecular formula C16H19F2N7O and a molecular weight of 363.37 g/mol. Its IUPAC name is 1-(difluoromethyl)-N-[3-(tetrazol-2-yl)-1-adamantyl]pyrazole-3-carboxamide.

Molecular Properties

Compound Name1-(difluoromethyl)-N-[3-(tetrazol-2-yl)-1-adamantyl]pyrazole-3-carboxamide
PubChem CID131932557
Molecular FormulaC16H19F2N7O
Molecular Weight363.37 g/mol
Exact Mass363.16
IUPAC Name1-(difluoromethyl)-N-[3-(tetrazol-2-yl)-1-adamantyl]pyrazole-3-carboxamide
SMILESO=C(NC12CC3CC(C1)CC(n1ncnn1)(C3)C2)c1ccn(C(F)F)n1
InChIInChI=1S/C16H19F2N7O/c17-14(18)24-2-1-12(22-24)13(26)21-15-4-10-3-11(5-15)7-16(6-10,8-15)25-20-9-19-23-25/h1-2,9-11,14H,3-8H2,(H,21,26)
InChIKeyMAEHUDHIAXDITI-UHFFFAOYSA-N
XLogP1.74
TPSA90.52 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.37
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-(difluoromethyl)-N-[3-(tetrazol-2-yl)-1-adamantyl]pyrazole-3-carboxamide?
The IUPAC name of 1-(difluoromethyl)-N-[3-(tetrazol-2-yl)-1-adamantyl]pyrazole-3-carboxamide (CID 131932557) is 1-(difluoromethyl)-N-[3-(tetrazol-2-yl)-1-adamantyl]pyrazole-3-carboxamide.
What is the SMILES notation for 1-(difluoromethyl)-N-[3-(tetrazol-2-yl)-1-adamantyl]pyrazole-3-carboxamide?
The canonical SMILES for 1-(difluoromethyl)-N-[3-(tetrazol-2-yl)-1-adamantyl]pyrazole-3-carboxamide is O=C(NC12CC3CC(C1)CC(n1ncnn1)(C3)C2)c1ccn(C(F)F)n1.
What is the InChIKey of 1-(difluoromethyl)-N-[3-(tetrazol-2-yl)-1-adamantyl]pyrazole-3-carboxamide?
The InChIKey is MAEHUDHIAXDITI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19F2N7O/c17-14(18)24-2-1-12(22-24)13(26)21-15-4-10-3-11(5-15)7-16(6-10,8-15)25-20-9-19-23-25/h1-2,9-11,14H,3-8H2,(H,21,26).
What are the key properties of 1-(difluoromethyl)-N-[3-(tetrazol-2-yl)-1-adamantyl]pyrazole-3-carboxamide?
1-(difluoromethyl)-N-[3-(tetrazol-2-yl)-1-adamantyl]pyrazole-3-carboxamide has a molecular weight of 363.37 g/mol, XLogP of 1.74, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(difluoromethyl)-N-[3-(tetrazol-2-yl)-1-adamantyl]pyrazole-3-carboxamide is sourced from PubChem (CID 131932557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).