(2,4-difluoro-5-methylphenyl)-(4-methoxy-1-methylpyrazol-5-yl)methanamine

C13H15F2N3O — CID 105046894

IUPAC(2,4-difluoro-5-methylphenyl)-(4-methoxy-1-methylpyrazol-5-yl)methanamine
SMILESCOc1cnn(C)c1C(N)c1cc(C)c(F)cc1F
InChIInChI=1S/C13H15F2N3O/c1-7-4-8(10(15)5-9(7)14)12(16)13-11(19-3)6-17-18(13)2/h4-6,12H,16H2,1-3H3
InChIKeyDNLNHHHXYPLSMW-UHFFFAOYSA-N
MW267.28 g/mol
LogP2.06
Rot. Bonds3

About (2,4-difluoro-5-methylphenyl)-(4-methoxy-1-methylpyrazol-5-yl)methanamine

(2,4-difluoro-5-methylphenyl)-(4-methoxy-1-methylpyrazol-5-yl)methanamine (PubChem CID 105046894) has the molecular formula C13H15F2N3O and a molecular weight of 267.28 g/mol. Its IUPAC name is (2,4-difluoro-5-methylphenyl)-(4-methoxy-1-methylpyrazol-5-yl)methanamine.

Molecular Properties

Compound Name(2,4-difluoro-5-methylphenyl)-(4-methoxy-1-methylpyrazol-5-yl)methanamine
PubChem CID105046894
Molecular FormulaC13H15F2N3O
Molecular Weight267.28 g/mol
Exact Mass267.12
IUPAC Name(2,4-difluoro-5-methylphenyl)-(4-methoxy-1-methylpyrazol-5-yl)methanamine
SMILESCOc1cnn(C)c1C(N)c1cc(C)c(F)cc1F
InChIInChI=1S/C13H15F2N3O/c1-7-4-8(10(15)5-9(7)14)12(16)13-11(19-3)6-17-18(13)2/h4-6,12H,16H2,1-3H3
InChIKeyDNLNHHHXYPLSMW-UHFFFAOYSA-N
XLogP2.06
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.28
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2,4-difluoro-5-methylphenyl)-(4-methoxy-1-methylpyrazol-5-yl)methanamine?
The IUPAC name of (2,4-difluoro-5-methylphenyl)-(4-methoxy-1-methylpyrazol-5-yl)methanamine (CID 105046894) is (2,4-difluoro-5-methylphenyl)-(4-methoxy-1-methylpyrazol-5-yl)methanamine.
What is the SMILES notation for (2,4-difluoro-5-methylphenyl)-(4-methoxy-1-methylpyrazol-5-yl)methanamine?
The canonical SMILES for (2,4-difluoro-5-methylphenyl)-(4-methoxy-1-methylpyrazol-5-yl)methanamine is COc1cnn(C)c1C(N)c1cc(C)c(F)cc1F.
What is the InChIKey of (2,4-difluoro-5-methylphenyl)-(4-methoxy-1-methylpyrazol-5-yl)methanamine?
The InChIKey is DNLNHHHXYPLSMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15F2N3O/c1-7-4-8(10(15)5-9(7)14)12(16)13-11(19-3)6-17-18(13)2/h4-6,12H,16H2,1-3H3.
What are the key properties of (2,4-difluoro-5-methylphenyl)-(4-methoxy-1-methylpyrazol-5-yl)methanamine?
(2,4-difluoro-5-methylphenyl)-(4-methoxy-1-methylpyrazol-5-yl)methanamine has a molecular weight of 267.28 g/mol, XLogP of 2.06, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2,4-difluoro-5-methylphenyl)-(4-methoxy-1-methylpyrazol-5-yl)methanamine is sourced from PubChem (CID 105046894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).