N-[(1-ethyl-4-methylpyrazol-5-yl)methyl]-1-(2-fluoroethyl)-4-methylpyrazol-3-amine

C13H20FN5 — CID 122167151

IUPACN-[(1-ethyl-4-methylpyrazol-5-yl)methyl]-1-(2-fluoroethyl)-4-methylpyrazol-3-amine
SMILESCCn1ncc(C)c1CNc1nn(CCF)cc1C
InChIInChI=1S/C13H20FN5/c1-4-19-12(10(2)7-16-19)8-15-13-11(3)9-18(17-13)6-5-14/h7,9H,4-6,8H2,1-3H3,(H,15,17)
InChIKeyDGQQAGKEHWAZRK-UHFFFAOYSA-N
MW265.34 g/mol
LogP2.30
Rot. Bonds6

About N-[(1-ethyl-4-methylpyrazol-5-yl)methyl]-1-(2-fluoroethyl)-4-methylpyrazol-3-amine

N-[(1-ethyl-4-methylpyrazol-5-yl)methyl]-1-(2-fluoroethyl)-4-methylpyrazol-3-amine (PubChem CID 122167151) has the molecular formula C13H20FN5 and a molecular weight of 265.34 g/mol. Its IUPAC name is N-[(1-ethyl-4-methylpyrazol-5-yl)methyl]-1-(2-fluoroethyl)-4-methylpyrazol-3-amine.

Molecular Properties

Compound NameN-[(1-ethyl-4-methylpyrazol-5-yl)methyl]-1-(2-fluoroethyl)-4-methylpyrazol-3-amine
PubChem CID122167151
Molecular FormulaC13H20FN5
Molecular Weight265.34 g/mol
Exact Mass265.17
IUPAC NameN-[(1-ethyl-4-methylpyrazol-5-yl)methyl]-1-(2-fluoroethyl)-4-methylpyrazol-3-amine
SMILESCCn1ncc(C)c1CNc1nn(CCF)cc1C
InChIInChI=1S/C13H20FN5/c1-4-19-12(10(2)7-16-19)8-15-13-11(3)9-18(17-13)6-5-14/h7,9H,4-6,8H2,1-3H3,(H,15,17)
InChIKeyDGQQAGKEHWAZRK-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-4-methylpyrazol-5-yl)methyl]-1-(2-fluoroethyl)-4-methylpyrazol-3-amine?
The IUPAC name of N-[(1-ethyl-4-methylpyrazol-5-yl)methyl]-1-(2-fluoroethyl)-4-methylpyrazol-3-amine (CID 122167151) is N-[(1-ethyl-4-methylpyrazol-5-yl)methyl]-1-(2-fluoroethyl)-4-methylpyrazol-3-amine.
What is the SMILES notation for N-[(1-ethyl-4-methylpyrazol-5-yl)methyl]-1-(2-fluoroethyl)-4-methylpyrazol-3-amine?
The canonical SMILES for N-[(1-ethyl-4-methylpyrazol-5-yl)methyl]-1-(2-fluoroethyl)-4-methylpyrazol-3-amine is CCn1ncc(C)c1CNc1nn(CCF)cc1C.
What is the InChIKey of N-[(1-ethyl-4-methylpyrazol-5-yl)methyl]-1-(2-fluoroethyl)-4-methylpyrazol-3-amine?
The InChIKey is DGQQAGKEHWAZRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20FN5/c1-4-19-12(10(2)7-16-19)8-15-13-11(3)9-18(17-13)6-5-14/h7,9H,4-6,8H2,1-3H3,(H,15,17).
What are the key properties of N-[(1-ethyl-4-methylpyrazol-5-yl)methyl]-1-(2-fluoroethyl)-4-methylpyrazol-3-amine?
N-[(1-ethyl-4-methylpyrazol-5-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-4-methylpyrazol-5-yl)methyl]-1-(2-fluoroethyl)-4-methylpyrazol-3-amine is sourced from PubChem (CID 122167151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).