N-[3-(difluoromethoxy)phenyl]-6-pyrrolidin-1-ylpyridazine-3-carboxamide

C16H16F2N4O2 — CID 121027827

IUPACN-[3-(difluoromethoxy)phenyl]-6-pyrrolidin-1-ylpyridazine-3-carboxamide
SMILESO=C(Nc1cccc(OC(F)F)c1)c1ccc(N2CCCC2)nn1
InChIInChI=1S/C16H16F2N4O2/c17-16(18)24-12-5-3-4-11(10-12)19-15(23)13-6-7-14(21-20-13)22-8-1-2-9-22/h3-7,10,16H,1-2,8-9H2,(H,19,23)
InChIKeyLXFZSJAYUBDFTJ-UHFFFAOYSA-N
MW334.33 g/mol
LogP2.93
Rot. Bonds5

About N-[3-(difluoromethoxy)phenyl]-6-pyrrolidin-1-ylpyridazine-3-carboxamide

N-[3-(difluoromethoxy)phenyl]-6-pyrrolidin-1-ylpyridazine-3-carboxamide (PubChem CID 121027827) has the molecular formula C16H16F2N4O2 and a molecular weight of 334.33 g/mol. Its IUPAC name is N-[3-(difluoromethoxy)phenyl]-6-pyrrolidin-1-ylpyridazine-3-carboxamide.

Molecular Properties

Compound NameN-[3-(difluoromethoxy)phenyl]-6-pyrrolidin-1-ylpyridazine-3-carboxamide
PubChem CID121027827
Molecular FormulaC16H16F2N4O2
Molecular Weight334.33 g/mol
Exact Mass334.12
IUPAC NameN-[3-(difluoromethoxy)phenyl]-6-pyrrolidin-1-ylpyridazine-3-carboxamide
SMILESO=C(Nc1cccc(OC(F)F)c1)c1ccc(N2CCCC2)nn1
InChIInChI=1S/C16H16F2N4O2/c17-16(18)24-12-5-3-4-11(10-12)19-15(23)13-6-7-14(21-20-13)22-8-1-2-9-22/h3-7,10,16H,1-2,8-9H2,(H,19,23)
InChIKeyLXFZSJAYUBDFTJ-UHFFFAOYSA-N
XLogP2.93
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.33
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[3-(difluoromethoxy)phenyl]-6-pyrrolidin-1-ylpyridazine-3-carboxamide?
The IUPAC name of N-[3-(difluoromethoxy)phenyl]-6-pyrrolidin-1-ylpyridazine-3-carboxamide (CID 121027827) is N-[3-(difluoromethoxy)phenyl]-6-pyrrolidin-1-ylpyridazine-3-carboxamide.
What is the SMILES notation for N-[3-(difluoromethoxy)phenyl]-6-pyrrolidin-1-ylpyridazine-3-carboxamide?
The canonical SMILES for N-[3-(difluoromethoxy)phenyl]-6-pyrrolidin-1-ylpyridazine-3-carboxamide is O=C(Nc1cccc(OC(F)F)c1)c1ccc(N2CCCC2)nn1.
What is the InChIKey of N-[3-(difluoromethoxy)phenyl]-6-pyrrolidin-1-ylpyridazine-3-carboxamide?
The InChIKey is LXFZSJAYUBDFTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16F2N4O2/c17-16(18)24-12-5-3-4-11(10-12)19-15(23)13-6-7-14(21-20-13)22-8-1-2-9-22/h3-7,10,16H,1-2,8-9H2,(H,19,23).
What are the key properties of N-[3-(difluoromethoxy)phenyl]-6-pyrrolidin-1-ylpyridazine-3-carboxamide?
N-[3-(difluoromethoxy)phenyl]-6-pyrrolidin-1-ylpyridazine-3-carboxamide has a molecular weight of 334.33 g/mol, XLogP of 2.93, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(difluoromethoxy)phenyl]-6-pyrrolidin-1-ylpyridazine-3-carboxamide is sourced from PubChem (CID 121027827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).