N-[3-(2,4-difluorophenyl)-1-methylpyrazol-5-yl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-3-carboxamide

C18H20F2N4O — CID 167763941

IUPACN-[3-(2,4-difluorophenyl)-1-methylpyrazol-5-yl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-3-carboxamide
SMILESCn1nc(-c2ccc(F)cc2F)cc1NC(=O)N1CC2C(C1)C2(C)C
InChIInChI=1S/C18H20F2N4O/c1-18(2)12-8-24(9-13(12)18)17(25)21-16-7-15(22-23(16)3)11-5-4-10(19)6-14(11)20/h4-7,12-13H,8-9H2,1-3H3,(H,21,25)
InChIKeyPIAPULKTYLZENE-UHFFFAOYSA-N
MW346.38 g/mol
LogP3.48
Rot. Bonds2

About N-[3-(2,4-difluorophenyl)-1-methylpyrazol-5-yl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-3-carboxamide

N-[3-(2,4-difluorophenyl)-1-methylpyrazol-5-yl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-3-carboxamide (PubChem CID 167763941) has the molecular formula C18H20F2N4O and a molecular weight of 346.38 g/mol. Its IUPAC name is N-[3-(2,4-difluorophenyl)-1-methylpyrazol-5-yl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-3-carboxamide.

Molecular Properties

Compound NameN-[3-(2,4-difluorophenyl)-1-methylpyrazol-5-yl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-3-carboxamide
PubChem CID167763941
Molecular FormulaC18H20F2N4O
Molecular Weight346.38 g/mol
Exact Mass346.16
IUPAC NameN-[3-(2,4-difluorophenyl)-1-methylpyrazol-5-yl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-3-carboxamide
SMILESCn1nc(-c2ccc(F)cc2F)cc1NC(=O)N1CC2C(C1)C2(C)C
InChIInChI=1S/C18H20F2N4O/c1-18(2)12-8-24(9-13(12)18)17(25)21-16-7-15(22-23(16)3)11-5-4-10(19)6-14(11)20/h4-7,12-13H,8-9H2,1-3H3,(H,21,25)
InChIKeyPIAPULKTYLZENE-UHFFFAOYSA-N
XLogP3.48
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.38
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[3-(2,4-difluorophenyl)-1-methylpyrazol-5-yl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-3-carboxamide?
The IUPAC name of N-[3-(2,4-difluorophenyl)-1-methylpyrazol-5-yl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-3-carboxamide (CID 167763941) is N-[3-(2,4-difluorophenyl)-1-methylpyrazol-5-yl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-3-carboxamide.
What is the SMILES notation for N-[3-(2,4-difluorophenyl)-1-methylpyrazol-5-yl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-3-carboxamide?
The canonical SMILES for N-[3-(2,4-difluorophenyl)-1-methylpyrazol-5-yl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-3-carboxamide is Cn1nc(-c2ccc(F)cc2F)cc1NC(=O)N1CC2C(C1)C2(C)C.
What is the InChIKey of N-[3-(2,4-difluorophenyl)-1-methylpyrazol-5-yl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-3-carboxamide?
The InChIKey is PIAPULKTYLZENE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20F2N4O/c1-18(2)12-8-24(9-13(12)18)17(25)21-16-7-15(22-23(16)3)11-5-4-10(19)6-14(11)20/h4-7,12-13H,8-9H2,1-3H3,(H,21,25).
What are the key properties of N-[3-(2,4-difluorophenyl)-1-methylpyrazol-5-yl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-3-carboxamide?
N-[3-(2,4-difluorophenyl)-1-methylpyrazol-5-yl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-3-carboxamide has a molecular weight of 346.38 g/mol, XLogP of 3.48, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2,4-difluorophenyl)-1-methylpyrazol-5-yl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-3-carboxamide is sourced from PubChem (CID 167763941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).