N-[(1-ethyl-5-fluoro-3-methylpyrazol-4-yl)methyl]-3-methoxy-1-methylpyrazol-4-amine

C12H18FN5O — CID 122169276

IUPACN-[(1-ethyl-5-fluoro-3-methylpyrazol-4-yl)methyl]-3-methoxy-1-methylpyrazol-4-amine
SMILESCCn1nc(C)c(CNc2cn(C)nc2OC)c1F
InChIInChI=1S/C12H18FN5O/c1-5-18-11(13)9(8(2)15-18)6-14-10-7-17(3)16-12(10)19-4/h7,14H,5-6H2,1-4H3
InChIKeyVBSHLYRPLJINEZ-UHFFFAOYSA-N
MW267.31 g/mol
LogP1.70
Rot. Bonds5

About N-[(1-ethyl-5-fluoro-3-methylpyrazol-4-yl)methyl]-3-methoxy-1-methylpyrazol-4-amine

N-[(1-ethyl-5-fluoro-3-methylpyrazol-4-yl)methyl]-3-methoxy-1-methylpyrazol-4-amine (PubChem CID 122169276) has the molecular formula C12H18FN5O and a molecular weight of 267.31 g/mol. Its IUPAC name is N-[(1-ethyl-5-fluoro-3-methylpyrazol-4-yl)methyl]-3-methoxy-1-methylpyrazol-4-amine.

Molecular Properties

Compound NameN-[(1-ethyl-5-fluoro-3-methylpyrazol-4-yl)methyl]-3-methoxy-1-methylpyrazol-4-amine
PubChem CID122169276
Molecular FormulaC12H18FN5O
Molecular Weight267.31 g/mol
Exact Mass267.15
IUPAC NameN-[(1-ethyl-5-fluoro-3-methylpyrazol-4-yl)methyl]-3-methoxy-1-methylpyrazol-4-amine
SMILESCCn1nc(C)c(CNc2cn(C)nc2OC)c1F
InChIInChI=1S/C12H18FN5O/c1-5-18-11(13)9(8(2)15-18)6-14-10-7-17(3)16-12(10)19-4/h7,14H,5-6H2,1-4H3
InChIKeyVBSHLYRPLJINEZ-UHFFFAOYSA-N
XLogP1.70
TPSA56.90 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.31
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[(1-ethyl-5-fluoro-3-methylpyrazol-4-yl)methyl]-3-methoxy-1-methylpyrazol-4-amine?
The IUPAC name of N-[(1-ethyl-5-fluoro-3-methylpyrazol-4-yl)methyl]-3-methoxy-1-methylpyrazol-4-amine (CID 122169276) is N-[(1-ethyl-5-fluoro-3-methylpyrazol-4-yl)methyl]-3-methoxy-1-methylpyrazol-4-amine.
What is the SMILES notation for N-[(1-ethyl-5-fluoro-3-methylpyrazol-4-yl)methyl]-3-methoxy-1-methylpyrazol-4-amine?
The canonical SMILES for N-[(1-ethyl-5-fluoro-3-methylpyrazol-4-yl)methyl]-3-methoxy-1-methylpyrazol-4-amine is CCn1nc(C)c(CNc2cn(C)nc2OC)c1F.
What is the InChIKey of N-[(1-ethyl-5-fluoro-3-methylpyrazol-4-yl)methyl]-3-methoxy-1-methylpyrazol-4-amine?
The InChIKey is VBSHLYRPLJINEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18FN5O/c1-5-18-11(13)9(8(2)15-18)6-14-10-7-17(3)16-12(10)19-4/h7,14H,5-6H2,1-4H3.
What are the key properties of N-[(1-ethyl-5-fluoro-3-methylpyrazol-4-yl)methyl]-3-methoxy-1-methylpyrazol-4-amine?
N-[(1-ethyl-5-fluoro-3-methylpyrazol-4-yl)methyl]-3-methoxy-1-methylpyrazol-4-amine has a molecular weight of 267.31 g/mol, XLogP of 1.70, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-ethyl-5-fluoro-3-methylpyrazol-4-yl)methyl]-3-methoxy-1-methylpyrazol-4-amine is sourced from PubChem (CID 122169276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).