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

C11H16FN5O — CID 122169211

IUPACN-[(1-ethyl-5-fluoropyrazol-4-yl)methyl]-3-methoxy-1-methylpyrazol-4-amine
SMILESCCn1ncc(CNc2cn(C)nc2OC)c1F
InChIInChI=1S/C11H16FN5O/c1-4-17-10(12)8(6-14-17)5-13-9-7-16(2)15-11(9)18-3/h6-7,13H,4-5H2,1-3H3
InChIKeyVDCHLSXYOUNKQH-UHFFFAOYSA-N
MW253.28 g/mol
LogP1.40
Rot. Bonds5

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

N-[(1-ethyl-5-fluoropyrazol-4-yl)methyl]-3-methoxy-1-methylpyrazol-4-amine (PubChem CID 122169211) has the molecular formula C11H16FN5O and a molecular weight of 253.28 g/mol. Its IUPAC name is N-[(1-ethyl-5-fluoropyrazol-4-yl)methyl]-3-methoxy-1-methylpyrazol-4-amine.

Molecular Properties

Compound NameN-[(1-ethyl-5-fluoropyrazol-4-yl)methyl]-3-methoxy-1-methylpyrazol-4-amine
PubChem CID122169211
Molecular FormulaC11H16FN5O
Molecular Weight253.28 g/mol
Exact Mass253.13
IUPAC NameN-[(1-ethyl-5-fluoropyrazol-4-yl)methyl]-3-methoxy-1-methylpyrazol-4-amine
SMILESCCn1ncc(CNc2cn(C)nc2OC)c1F
InChIInChI=1S/C11H16FN5O/c1-4-17-10(12)8(6-14-17)5-13-9-7-16(2)15-11(9)18-3/h6-7,13H,4-5H2,1-3H3
InChIKeyVDCHLSXYOUNKQH-UHFFFAOYSA-N
XLogP1.40
TPSA56.90 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.28
LogP ≤ 51.40
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-fluoropyrazol-4-yl)methyl]-3-methoxy-1-methylpyrazol-4-amine?
The IUPAC name of N-[(1-ethyl-5-fluoropyrazol-4-yl)methyl]-3-methoxy-1-methylpyrazol-4-amine (CID 122169211) is N-[(1-ethyl-5-fluoropyrazol-4-yl)methyl]-3-methoxy-1-methylpyrazol-4-amine.
What is the SMILES notation for N-[(1-ethyl-5-fluoropyrazol-4-yl)methyl]-3-methoxy-1-methylpyrazol-4-amine?
The canonical SMILES for N-[(1-ethyl-5-fluoropyrazol-4-yl)methyl]-3-methoxy-1-methylpyrazol-4-amine is CCn1ncc(CNc2cn(C)nc2OC)c1F.
What is the InChIKey of N-[(1-ethyl-5-fluoropyrazol-4-yl)methyl]-3-methoxy-1-methylpyrazol-4-amine?
The InChIKey is VDCHLSXYOUNKQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16FN5O/c1-4-17-10(12)8(6-14-17)5-13-9-7-16(2)15-11(9)18-3/h6-7,13H,4-5H2,1-3H3.
What are the key properties of N-[(1-ethyl-5-fluoropyrazol-4-yl)methyl]-3-methoxy-1-methylpyrazol-4-amine?
N-[(1-ethyl-5-fluoropyrazol-4-yl)methyl]-3-methoxy-1-methylpyrazol-4-amine has a molecular weight of 253.28 g/mol, XLogP of 1.40, 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-fluoropyrazol-4-yl)methyl]-3-methoxy-1-methylpyrazol-4-amine is sourced from PubChem (CID 122169211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).