N-(1-adamantylmethyl)-1-(difluoromethyl)pyrazole-3-carboxamide

C16H21F2N3O — CID 4769597

IUPACN-(1-adamantylmethyl)-1-(difluoromethyl)pyrazole-3-carboxamide
SMILESO=C(NCC12CC3CC(CC(C3)C1)C2)c1ccn(C(F)F)n1
InChIInChI=1S/C16H21F2N3O/c17-15(18)21-2-1-13(20-21)14(22)19-9-16-6-10-3-11(7-16)5-12(4-10)8-16/h1-2,10-12,15H,3-9H2,(H,19,22)
InChIKeyAPAWQZDANBCPMF-UHFFFAOYSA-N
MW309.36 g/mol
LogP3.22
Rot. Bonds4

About N-(1-adamantylmethyl)-1-(difluoromethyl)pyrazole-3-carboxamide

N-(1-adamantylmethyl)-1-(difluoromethyl)pyrazole-3-carboxamide (PubChem CID 4769597) has the molecular formula C16H21F2N3O and a molecular weight of 309.36 g/mol. Its IUPAC name is N-(1-adamantylmethyl)-1-(difluoromethyl)pyrazole-3-carboxamide.

Molecular Properties

Compound NameN-(1-adamantylmethyl)-1-(difluoromethyl)pyrazole-3-carboxamide
PubChem CID4769597
Molecular FormulaC16H21F2N3O
Molecular Weight309.36 g/mol
Exact Mass309.17
IUPAC NameN-(1-adamantylmethyl)-1-(difluoromethyl)pyrazole-3-carboxamide
SMILESO=C(NCC12CC3CC(CC(C3)C1)C2)c1ccn(C(F)F)n1
InChIInChI=1S/C16H21F2N3O/c17-15(18)21-2-1-13(20-21)14(22)19-9-16-6-10-3-11(7-16)5-12(4-10)8-16/h1-2,10-12,15H,3-9H2,(H,19,22)
InChIKeyAPAWQZDANBCPMF-UHFFFAOYSA-N
XLogP3.22
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.36
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-(1-adamantylmethyl)-1-(difluoromethyl)pyrazole-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(1-adamantylmethyl)-1-(difluoromethyl)pyrazole-3-carboxamide?
The IUPAC name of N-(1-adamantylmethyl)-1-(difluoromethyl)pyrazole-3-carboxamide (CID 4769597) is N-(1-adamantylmethyl)-1-(difluoromethyl)pyrazole-3-carboxamide.
What is the SMILES notation for N-(1-adamantylmethyl)-1-(difluoromethyl)pyrazole-3-carboxamide?
The canonical SMILES for N-(1-adamantylmethyl)-1-(difluoromethyl)pyrazole-3-carboxamide is O=C(NCC12CC3CC(CC(C3)C1)C2)c1ccn(C(F)F)n1.
What is the InChIKey of N-(1-adamantylmethyl)-1-(difluoromethyl)pyrazole-3-carboxamide?
The InChIKey is APAWQZDANBCPMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21F2N3O/c17-15(18)21-2-1-13(20-21)14(22)19-9-16-6-10-3-11(7-16)5-12(4-10)8-16/h1-2,10-12,15H,3-9H2,(H,19,22).
What are the key properties of N-(1-adamantylmethyl)-1-(difluoromethyl)pyrazole-3-carboxamide?
N-(1-adamantylmethyl)-1-(difluoromethyl)pyrazole-3-carboxamide has a molecular weight of 309.36 g/mol, XLogP of 3.22, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-adamantylmethyl)-1-(difluoromethyl)pyrazole-3-carboxamide is sourced from PubChem (CID 4769597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).