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

C15H19F2N3O2 — CID 25247565

IUPAC1-(2,2-difluoroethyl)-N-[[4-methoxy-3-(methoxymethyl)phenyl]methyl]pyrazol-4-amine
SMILESCOCc1cc(CNc2cnn(CC(F)F)c2)ccc1OC
InChIInChI=1S/C15H19F2N3O2/c1-21-10-12-5-11(3-4-14(12)22-2)6-18-13-7-19-20(8-13)9-15(16)17/h3-5,7-8,15,18H,6,9-10H2,1-2H3
InChIKeyISDWCUAJIDCEGZ-UHFFFAOYSA-N
MW311.33 g/mol
LogP2.92
Rot. Bonds8

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

1-(2,2-difluoroethyl)-N-[[4-methoxy-3-(methoxymethyl)phenyl]methyl]pyrazol-4-amine (PubChem CID 25247565) has the molecular formula C15H19F2N3O2 and a molecular weight of 311.33 g/mol. Its IUPAC name is 1-(2,2-difluoroethyl)-N-[[4-methoxy-3-(methoxymethyl)phenyl]methyl]pyrazol-4-amine.

Molecular Properties

Compound Name1-(2,2-difluoroethyl)-N-[[4-methoxy-3-(methoxymethyl)phenyl]methyl]pyrazol-4-amine
PubChem CID25247565
Molecular FormulaC15H19F2N3O2
Molecular Weight311.33 g/mol
Exact Mass311.14
IUPAC Name1-(2,2-difluoroethyl)-N-[[4-methoxy-3-(methoxymethyl)phenyl]methyl]pyrazol-4-amine
SMILESCOCc1cc(CNc2cnn(CC(F)F)c2)ccc1OC
InChIInChI=1S/C15H19F2N3O2/c1-21-10-12-5-11(3-4-14(12)22-2)6-18-13-7-19-20(8-13)9-15(16)17/h3-5,7-8,15,18H,6,9-10H2,1-2H3
InChIKeyISDWCUAJIDCEGZ-UHFFFAOYSA-N
XLogP2.92
TPSA48.31 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.33
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(2,2-difluoroethyl)-N-[[4-methoxy-3-(methoxymethyl)phenyl]methyl]pyrazol-4-amine?
The IUPAC name of 1-(2,2-difluoroethyl)-N-[[4-methoxy-3-(methoxymethyl)phenyl]methyl]pyrazol-4-amine (CID 25247565) is 1-(2,2-difluoroethyl)-N-[[4-methoxy-3-(methoxymethyl)phenyl]methyl]pyrazol-4-amine.
What is the SMILES notation for 1-(2,2-difluoroethyl)-N-[[4-methoxy-3-(methoxymethyl)phenyl]methyl]pyrazol-4-amine?
The canonical SMILES for 1-(2,2-difluoroethyl)-N-[[4-methoxy-3-(methoxymethyl)phenyl]methyl]pyrazol-4-amine is COCc1cc(CNc2cnn(CC(F)F)c2)ccc1OC.
What is the InChIKey of 1-(2,2-difluoroethyl)-N-[[4-methoxy-3-(methoxymethyl)phenyl]methyl]pyrazol-4-amine?
The InChIKey is ISDWCUAJIDCEGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19F2N3O2/c1-21-10-12-5-11(3-4-14(12)22-2)6-18-13-7-19-20(8-13)9-15(16)17/h3-5,7-8,15,18H,6,9-10H2,1-2H3.
What are the key properties of 1-(2,2-difluoroethyl)-N-[[4-methoxy-3-(methoxymethyl)phenyl]methyl]pyrazol-4-amine?
1-(2,2-difluoroethyl)-N-[[4-methoxy-3-(methoxymethyl)phenyl]methyl]pyrazol-4-amine has a molecular weight of 311.33 g/mol, XLogP of 2.92, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,2-difluoroethyl)-N-[[4-methoxy-3-(methoxymethyl)phenyl]methyl]pyrazol-4-amine is sourced from PubChem (CID 25247565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).