N-[[1-(2,2-difluoroethyl)pyrazol-4-yl]methyl]-3-methoxy-1-methylpyrazol-4-amine

C11H15F2N5O — CID 122167692

IUPACN-[[1-(2,2-difluoroethyl)pyrazol-4-yl]methyl]-3-methoxy-1-methylpyrazol-4-amine
SMILESCOc1nn(C)cc1NCc1cnn(CC(F)F)c1
InChIInChI=1S/C11H15F2N5O/c1-17-6-9(11(16-17)19-2)14-3-8-4-15-18(5-8)7-10(12)13/h4-6,10,14H,3,7H2,1-2H3
InChIKeyJUPOXVBEEOMWNZ-UHFFFAOYSA-N
MW271.27 g/mol
LogP1.50
Rot. Bonds6

About N-[[1-(2,2-difluoroethyl)pyrazol-4-yl]methyl]-3-methoxy-1-methylpyrazol-4-amine

N-[[1-(2,2-difluoroethyl)pyrazol-4-yl]methyl]-3-methoxy-1-methylpyrazol-4-amine (PubChem CID 122167692) has the molecular formula C11H15F2N5O and a molecular weight of 271.27 g/mol. Its IUPAC name is N-[[1-(2,2-difluoroethyl)pyrazol-4-yl]methyl]-3-methoxy-1-methylpyrazol-4-amine.

Molecular Properties

Compound NameN-[[1-(2,2-difluoroethyl)pyrazol-4-yl]methyl]-3-methoxy-1-methylpyrazol-4-amine
PubChem CID122167692
Molecular FormulaC11H15F2N5O
Molecular Weight271.27 g/mol
Exact Mass271.12
IUPAC NameN-[[1-(2,2-difluoroethyl)pyrazol-4-yl]methyl]-3-methoxy-1-methylpyrazol-4-amine
SMILESCOc1nn(C)cc1NCc1cnn(CC(F)F)c1
InChIInChI=1S/C11H15F2N5O/c1-17-6-9(11(16-17)19-2)14-3-8-4-15-18(5-8)7-10(12)13/h4-6,10,14H,3,7H2,1-2H3
InChIKeyJUPOXVBEEOMWNZ-UHFFFAOYSA-N
XLogP1.50
TPSA56.90 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.27
LogP ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[[1-(2,2-difluoroethyl)pyrazol-4-yl]methyl]-3-methoxy-1-methylpyrazol-4-amine?
The IUPAC name of N-[[1-(2,2-difluoroethyl)pyrazol-4-yl]methyl]-3-methoxy-1-methylpyrazol-4-amine (CID 122167692) is N-[[1-(2,2-difluoroethyl)pyrazol-4-yl]methyl]-3-methoxy-1-methylpyrazol-4-amine.
What is the SMILES notation for N-[[1-(2,2-difluoroethyl)pyrazol-4-yl]methyl]-3-methoxy-1-methylpyrazol-4-amine?
The canonical SMILES for N-[[1-(2,2-difluoroethyl)pyrazol-4-yl]methyl]-3-methoxy-1-methylpyrazol-4-amine is COc1nn(C)cc1NCc1cnn(CC(F)F)c1.
What is the InChIKey of N-[[1-(2,2-difluoroethyl)pyrazol-4-yl]methyl]-3-methoxy-1-methylpyrazol-4-amine?
The InChIKey is JUPOXVBEEOMWNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15F2N5O/c1-17-6-9(11(16-17)19-2)14-3-8-4-15-18(5-8)7-10(12)13/h4-6,10,14H,3,7H2,1-2H3.
What are the key properties of N-[[1-(2,2-difluoroethyl)pyrazol-4-yl]methyl]-3-methoxy-1-methylpyrazol-4-amine?
N-[[1-(2,2-difluoroethyl)pyrazol-4-yl]methyl]-3-methoxy-1-methylpyrazol-4-amine has a molecular weight of 271.27 g/mol, XLogP of 1.50, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(2,2-difluoroethyl)pyrazol-4-yl]methyl]-3-methoxy-1-methylpyrazol-4-amine is sourced from PubChem (CID 122167692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).