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

C13H20FN5 — CID 122167153

IUPACN-[(1-ethyl-4-methylpyrazol-5-yl)methyl]-1-(2-fluoroethyl)-4-methylpyrazol-5-amine
SMILESCCn1ncc(C)c1CNc1c(C)cnn1CCF
InChIInChI=1S/C13H20FN5/c1-4-18-12(10(2)7-16-18)9-15-13-11(3)8-17-19(13)6-5-14/h7-8,15H,4-6,9H2,1-3H3
InChIKeyDMTKKSSBQMSGCR-UHFFFAOYSA-N
MW265.34 g/mol
LogP2.30
Rot. Bonds6

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

N-[(1-ethyl-4-methylpyrazol-5-yl)methyl]-1-(2-fluoroethyl)-4-methylpyrazol-5-amine (PubChem CID 122167153) 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-5-amine.

Molecular Properties

Compound NameN-[(1-ethyl-4-methylpyrazol-5-yl)methyl]-1-(2-fluoroethyl)-4-methylpyrazol-5-amine
PubChem CID122167153
Molecular FormulaC13H20FN5
Molecular Weight265.34 g/mol
Exact Mass265.17
IUPAC NameN-[(1-ethyl-4-methylpyrazol-5-yl)methyl]-1-(2-fluoroethyl)-4-methylpyrazol-5-amine
SMILESCCn1ncc(C)c1CNc1c(C)cnn1CCF
InChIInChI=1S/C13H20FN5/c1-4-18-12(10(2)7-16-18)9-15-13-11(3)8-17-19(13)6-5-14/h7-8,15H,4-6,9H2,1-3H3
InChIKeyDMTKKSSBQMSGCR-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-5-amine?
The IUPAC name of N-[(1-ethyl-4-methylpyrazol-5-yl)methyl]-1-(2-fluoroethyl)-4-methylpyrazol-5-amine (CID 122167153) is N-[(1-ethyl-4-methylpyrazol-5-yl)methyl]-1-(2-fluoroethyl)-4-methylpyrazol-5-amine.
What is the SMILES notation for N-[(1-ethyl-4-methylpyrazol-5-yl)methyl]-1-(2-fluoroethyl)-4-methylpyrazol-5-amine?
The canonical SMILES for N-[(1-ethyl-4-methylpyrazol-5-yl)methyl]-1-(2-fluoroethyl)-4-methylpyrazol-5-amine is CCn1ncc(C)c1CNc1c(C)cnn1CCF.
What is the InChIKey of N-[(1-ethyl-4-methylpyrazol-5-yl)methyl]-1-(2-fluoroethyl)-4-methylpyrazol-5-amine?
The InChIKey is DMTKKSSBQMSGCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20FN5/c1-4-18-12(10(2)7-16-18)9-15-13-11(3)8-17-19(13)6-5-14/h7-8,15H,4-6,9H2,1-3H3.
What are the key properties of N-[(1-ethyl-4-methylpyrazol-5-yl)methyl]-1-(2-fluoroethyl)-4-methylpyrazol-5-amine?
N-[(1-ethyl-4-methylpyrazol-5-yl)methyl]-1-(2-fluoroethyl)-4-methylpyrazol-5-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-5-amine is sourced from PubChem (CID 122167153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).