N-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-1-(2-fluoroethyl)-4-methylpyrazol-3-amine

C13H20FN5 — CID 122167193

IUPACN-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-1-(2-fluoroethyl)-4-methylpyrazol-3-amine
SMILESCCn1cc(CNc2nn(CCF)cc2C)c(C)n1
InChIInChI=1S/C13H20FN5/c1-4-18-9-12(11(3)16-18)7-15-13-10(2)8-19(17-13)6-5-14/h8-9H,4-7H2,1-3H3,(H,15,17)
InChIKeyWKSHRDJJSGWBIL-UHFFFAOYSA-N
MW265.34 g/mol
LogP2.30
Rot. Bonds6

About N-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-1-(2-fluoroethyl)-4-methylpyrazol-3-amine

N-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-1-(2-fluoroethyl)-4-methylpyrazol-3-amine (PubChem CID 122167193) has the molecular formula C13H20FN5 and a molecular weight of 265.34 g/mol. Its IUPAC name is N-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-1-(2-fluoroethyl)-4-methylpyrazol-3-amine.

Molecular Properties

Compound NameN-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-1-(2-fluoroethyl)-4-methylpyrazol-3-amine
PubChem CID122167193
Molecular FormulaC13H20FN5
Molecular Weight265.34 g/mol
Exact Mass265.17
IUPAC NameN-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-1-(2-fluoroethyl)-4-methylpyrazol-3-amine
SMILESCCn1cc(CNc2nn(CCF)cc2C)c(C)n1
InChIInChI=1S/C13H20FN5/c1-4-18-9-12(11(3)16-18)7-15-13-10(2)8-19(17-13)6-5-14/h8-9H,4-7H2,1-3H3,(H,15,17)
InChIKeyWKSHRDJJSGWBIL-UHFFFAOYSA-N
XLogP2.30
TPSA47.67 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.34
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-1-(2-fluoroethyl)-4-methylpyrazol-3-amine?
The IUPAC name of N-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-1-(2-fluoroethyl)-4-methylpyrazol-3-amine (CID 122167193) is N-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-1-(2-fluoroethyl)-4-methylpyrazol-3-amine.
What is the SMILES notation for N-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-1-(2-fluoroethyl)-4-methylpyrazol-3-amine?
The canonical SMILES for N-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-1-(2-fluoroethyl)-4-methylpyrazol-3-amine is CCn1cc(CNc2nn(CCF)cc2C)c(C)n1.
What is the InChIKey of N-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-1-(2-fluoroethyl)-4-methylpyrazol-3-amine?
The InChIKey is WKSHRDJJSGWBIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20FN5/c1-4-18-9-12(11(3)16-18)7-15-13-10(2)8-19(17-13)6-5-14/h8-9H,4-7H2,1-3H3,(H,15,17).
What are the key properties of N-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-1-(2-fluoroethyl)-4-methylpyrazol-3-amine?
N-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-1-(2-fluoroethyl)-4-methylpyrazol-3-amine has a molecular weight of 265.34 g/mol, XLogP of 2.30, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-1-(2-fluoroethyl)-4-methylpyrazol-3-amine is sourced from PubChem (CID 122167193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).