1-(2-fluorophenyl)-N-(1H-imidazol-2-ylmethyl)-5-methylpyrazol-4-amine

C14H14FN5 — CID 75517569

IUPAC1-(2-fluorophenyl)-N-(1H-imidazol-2-ylmethyl)-5-methylpyrazol-4-amine
SMILESCc1c(NCc2ncc[nH]2)cnn1-c1ccccc1F
InChIInChI=1S/C14H14FN5/c1-10-12(18-9-14-16-6-7-17-14)8-19-20(10)13-5-3-2-4-11(13)15/h2-8,18H,9H2,1H3,(H,16,17)
InChIKeyOIDYGLLWDUNUEF-UHFFFAOYSA-N
MW271.30 g/mol
LogP2.66
Rot. Bonds4

About 1-(2-fluorophenyl)-N-(1H-imidazol-2-ylmethyl)-5-methylpyrazol-4-amine

1-(2-fluorophenyl)-N-(1H-imidazol-2-ylmethyl)-5-methylpyrazol-4-amine (PubChem CID 75517569) has the molecular formula C14H14FN5 and a molecular weight of 271.30 g/mol. Its IUPAC name is 1-(2-fluorophenyl)-N-(1H-imidazol-2-ylmethyl)-5-methylpyrazol-4-amine.

Molecular Properties

Compound Name1-(2-fluorophenyl)-N-(1H-imidazol-2-ylmethyl)-5-methylpyrazol-4-amine
PubChem CID75517569
Molecular FormulaC14H14FN5
Molecular Weight271.30 g/mol
Exact Mass271.12
IUPAC Name1-(2-fluorophenyl)-N-(1H-imidazol-2-ylmethyl)-5-methylpyrazol-4-amine
SMILESCc1c(NCc2ncc[nH]2)cnn1-c1ccccc1F
InChIInChI=1S/C14H14FN5/c1-10-12(18-9-14-16-6-7-17-14)8-19-20(10)13-5-3-2-4-11(13)15/h2-8,18H,9H2,1H3,(H,16,17)
InChIKeyOIDYGLLWDUNUEF-UHFFFAOYSA-N
XLogP2.66
TPSA58.53 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.30
LogP ≤ 52.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(2-fluorophenyl)-N-(1H-imidazol-2-ylmethyl)-5-methylpyrazol-4-amine?
The IUPAC name of 1-(2-fluorophenyl)-N-(1H-imidazol-2-ylmethyl)-5-methylpyrazol-4-amine (CID 75517569) is 1-(2-fluorophenyl)-N-(1H-imidazol-2-ylmethyl)-5-methylpyrazol-4-amine.
What is the SMILES notation for 1-(2-fluorophenyl)-N-(1H-imidazol-2-ylmethyl)-5-methylpyrazol-4-amine?
The canonical SMILES for 1-(2-fluorophenyl)-N-(1H-imidazol-2-ylmethyl)-5-methylpyrazol-4-amine is Cc1c(NCc2ncc[nH]2)cnn1-c1ccccc1F.
What is the InChIKey of 1-(2-fluorophenyl)-N-(1H-imidazol-2-ylmethyl)-5-methylpyrazol-4-amine?
The InChIKey is OIDYGLLWDUNUEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14FN5/c1-10-12(18-9-14-16-6-7-17-14)8-19-20(10)13-5-3-2-4-11(13)15/h2-8,18H,9H2,1H3,(H,16,17).
What are the key properties of 1-(2-fluorophenyl)-N-(1H-imidazol-2-ylmethyl)-5-methylpyrazol-4-amine?
1-(2-fluorophenyl)-N-(1H-imidazol-2-ylmethyl)-5-methylpyrazol-4-amine has a molecular weight of 271.30 g/mol, XLogP of 2.66, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluorophenyl)-N-(1H-imidazol-2-ylmethyl)-5-methylpyrazol-4-amine is sourced from PubChem (CID 75517569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).