N-[1-(difluoromethyl)pyrazol-4-yl]-7-methyl-1,7-diazaspiro[3.5]nonane-1-carboxamide

C13H19F2N5O — CID 136562805

IUPACN-[1-(difluoromethyl)pyrazol-4-yl]-7-methyl-1,7-diazaspiro[3.5]nonane-1-carboxamide
SMILESCN1CCC2(CC1)CCN2C(=O)Nc1cnn(C(F)F)c1
InChIInChI=1S/C13H19F2N5O/c1-18-5-2-13(3-6-18)4-7-19(13)12(21)17-10-8-16-20(9-10)11(14)15/h8-9,11H,2-7H2,1H3,(H,17,21)
InChIKeyWBBAWNFKVSIIPZ-UHFFFAOYSA-N
MW299.32 g/mol
LogP1.98
Rot. Bonds2

About N-[1-(difluoromethyl)pyrazol-4-yl]-7-methyl-1,7-diazaspiro[3.5]nonane-1-carboxamide

N-[1-(difluoromethyl)pyrazol-4-yl]-7-methyl-1,7-diazaspiro[3.5]nonane-1-carboxamide (PubChem CID 136562805) has the molecular formula C13H19F2N5O and a molecular weight of 299.32 g/mol. Its IUPAC name is N-[1-(difluoromethyl)pyrazol-4-yl]-7-methyl-1,7-diazaspiro[3.5]nonane-1-carboxamide.

Molecular Properties

Compound NameN-[1-(difluoromethyl)pyrazol-4-yl]-7-methyl-1,7-diazaspiro[3.5]nonane-1-carboxamide
PubChem CID136562805
Molecular FormulaC13H19F2N5O
Molecular Weight299.32 g/mol
Exact Mass299.16
IUPAC NameN-[1-(difluoromethyl)pyrazol-4-yl]-7-methyl-1,7-diazaspiro[3.5]nonane-1-carboxamide
SMILESCN1CCC2(CC1)CCN2C(=O)Nc1cnn(C(F)F)c1
InChIInChI=1S/C13H19F2N5O/c1-18-5-2-13(3-6-18)4-7-19(13)12(21)17-10-8-16-20(9-10)11(14)15/h8-9,11H,2-7H2,1H3,(H,17,21)
InChIKeyWBBAWNFKVSIIPZ-UHFFFAOYSA-N
XLogP1.98
TPSA53.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.32
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[1-(difluoromethyl)pyrazol-4-yl]-7-methyl-1,7-diazaspiro[3.5]nonane-1-carboxamide?
The IUPAC name of N-[1-(difluoromethyl)pyrazol-4-yl]-7-methyl-1,7-diazaspiro[3.5]nonane-1-carboxamide (CID 136562805) is N-[1-(difluoromethyl)pyrazol-4-yl]-7-methyl-1,7-diazaspiro[3.5]nonane-1-carboxamide.
What is the SMILES notation for N-[1-(difluoromethyl)pyrazol-4-yl]-7-methyl-1,7-diazaspiro[3.5]nonane-1-carboxamide?
The canonical SMILES for N-[1-(difluoromethyl)pyrazol-4-yl]-7-methyl-1,7-diazaspiro[3.5]nonane-1-carboxamide is CN1CCC2(CC1)CCN2C(=O)Nc1cnn(C(F)F)c1.
What is the InChIKey of N-[1-(difluoromethyl)pyrazol-4-yl]-7-methyl-1,7-diazaspiro[3.5]nonane-1-carboxamide?
The InChIKey is WBBAWNFKVSIIPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19F2N5O/c1-18-5-2-13(3-6-18)4-7-19(13)12(21)17-10-8-16-20(9-10)11(14)15/h8-9,11H,2-7H2,1H3,(H,17,21).
What are the key properties of N-[1-(difluoromethyl)pyrazol-4-yl]-7-methyl-1,7-diazaspiro[3.5]nonane-1-carboxamide?
N-[1-(difluoromethyl)pyrazol-4-yl]-7-methyl-1,7-diazaspiro[3.5]nonane-1-carboxamide has a molecular weight of 299.32 g/mol, XLogP of 1.98, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(difluoromethyl)pyrazol-4-yl]-7-methyl-1,7-diazaspiro[3.5]nonane-1-carboxamide is sourced from PubChem (CID 136562805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).