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

C12H19ClFN5 — CID 126967956

IUPAC2-ethyl-N-[(1-ethyl-5-fluoropyrazol-4-yl)methyl]-5-methylpyrazol-3-amine;hydrochloride
SMILESCCn1nc(C)cc1NCc1cnn(CC)c1F.Cl
InChIInChI=1S/C12H18FN5.ClH/c1-4-17-11(6-9(3)16-17)14-7-10-8-15-18(5-2)12(10)13;/h6,8,14H,4-5,7H2,1-3H3;1H
InChIKeyAJVRKLFQBLDHEJ-UHFFFAOYSA-N
MW287.77 g/mol
LogP2.60
Rot. Bonds5

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

2-ethyl-N-[(1-ethyl-5-fluoropyrazol-4-yl)methyl]-5-methylpyrazol-3-amine;hydrochloride (PubChem CID 126967956) has the molecular formula C12H19ClFN5 and a molecular weight of 287.77 g/mol. Its IUPAC name is 2-ethyl-N-[(1-ethyl-5-fluoropyrazol-4-yl)methyl]-5-methylpyrazol-3-amine;hydrochloride.

Molecular Properties

Compound Name2-ethyl-N-[(1-ethyl-5-fluoropyrazol-4-yl)methyl]-5-methylpyrazol-3-amine;hydrochloride
PubChem CID126967956
Molecular FormulaC12H19ClFN5
Molecular Weight287.77 g/mol
Exact Mass287.13
IUPAC Name2-ethyl-N-[(1-ethyl-5-fluoropyrazol-4-yl)methyl]-5-methylpyrazol-3-amine;hydrochloride
SMILESCCn1nc(C)cc1NCc1cnn(CC)c1F.Cl
InChIInChI=1S/C12H18FN5.ClH/c1-4-17-11(6-9(3)16-17)14-7-10-8-15-18(5-2)12(10)13;/h6,8,14H,4-5,7H2,1-3H3;1H
InChIKeyAJVRKLFQBLDHEJ-UHFFFAOYSA-N
XLogP2.60
TPSA47.67 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.77
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-N-[(1-ethyl-5-fluoropyrazol-4-yl)methyl]-5-methylpyrazol-3-amine;hydrochloride?
The IUPAC name of 2-ethyl-N-[(1-ethyl-5-fluoropyrazol-4-yl)methyl]-5-methylpyrazol-3-amine;hydrochloride (CID 126967956) is 2-ethyl-N-[(1-ethyl-5-fluoropyrazol-4-yl)methyl]-5-methylpyrazol-3-amine;hydrochloride.
What is the SMILES notation for 2-ethyl-N-[(1-ethyl-5-fluoropyrazol-4-yl)methyl]-5-methylpyrazol-3-amine;hydrochloride?
The canonical SMILES for 2-ethyl-N-[(1-ethyl-5-fluoropyrazol-4-yl)methyl]-5-methylpyrazol-3-amine;hydrochloride is CCn1nc(C)cc1NCc1cnn(CC)c1F.Cl.
What is the InChIKey of 2-ethyl-N-[(1-ethyl-5-fluoropyrazol-4-yl)methyl]-5-methylpyrazol-3-amine;hydrochloride?
The InChIKey is AJVRKLFQBLDHEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18FN5.ClH/c1-4-17-11(6-9(3)16-17)14-7-10-8-15-18(5-2)12(10)13;/h6,8,14H,4-5,7H2,1-3H3;1H.
What are the key properties of 2-ethyl-N-[(1-ethyl-5-fluoropyrazol-4-yl)methyl]-5-methylpyrazol-3-amine;hydrochloride?
2-ethyl-N-[(1-ethyl-5-fluoropyrazol-4-yl)methyl]-5-methylpyrazol-3-amine;hydrochloride has a molecular weight of 287.77 g/mol, XLogP of 2.60, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-N-[(1-ethyl-5-fluoropyrazol-4-yl)methyl]-5-methylpyrazol-3-amine;hydrochloride is sourced from PubChem (CID 126967956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).