N-[[5-(2-fluorophenyl)-1H-pyrazol-4-yl]methyl]-2,5-dimethylpyrazol-3-amine

C15H16FN5 — CID 75382057

IUPACN-[[5-(2-fluorophenyl)-1H-pyrazol-4-yl]methyl]-2,5-dimethylpyrazol-3-amine
SMILESCc1cc(NCc2cn[nH]c2-c2ccccc2F)n(C)n1
InChIInChI=1S/C15H16FN5/c1-10-7-14(21(2)20-10)17-8-11-9-18-19-15(11)12-5-3-4-6-13(12)16/h3-7,9,17H,8H2,1-2H3,(H,18,19)
InChIKeyKJRYIXMDMFJMIB-UHFFFAOYSA-N
MW285.33 g/mol
LogP2.87
Rot. Bonds4

About N-[[5-(2-fluorophenyl)-1H-pyrazol-4-yl]methyl]-2,5-dimethylpyrazol-3-amine

N-[[5-(2-fluorophenyl)-1H-pyrazol-4-yl]methyl]-2,5-dimethylpyrazol-3-amine (PubChem CID 75382057) has the molecular formula C15H16FN5 and a molecular weight of 285.33 g/mol. Its IUPAC name is N-[[5-(2-fluorophenyl)-1H-pyrazol-4-yl]methyl]-2,5-dimethylpyrazol-3-amine.

Molecular Properties

Compound NameN-[[5-(2-fluorophenyl)-1H-pyrazol-4-yl]methyl]-2,5-dimethylpyrazol-3-amine
PubChem CID75382057
Molecular FormulaC15H16FN5
Molecular Weight285.33 g/mol
Exact Mass285.14
IUPAC NameN-[[5-(2-fluorophenyl)-1H-pyrazol-4-yl]methyl]-2,5-dimethylpyrazol-3-amine
SMILESCc1cc(NCc2cn[nH]c2-c2ccccc2F)n(C)n1
InChIInChI=1S/C15H16FN5/c1-10-7-14(21(2)20-10)17-8-11-9-18-19-15(11)12-5-3-4-6-13(12)16/h3-7,9,17H,8H2,1-2H3,(H,18,19)
InChIKeyKJRYIXMDMFJMIB-UHFFFAOYSA-N
XLogP2.87
TPSA58.53 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.33
LogP ≤ 52.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[[5-(2-fluorophenyl)-1H-pyrazol-4-yl]methyl]-2,5-dimethylpyrazol-3-amine?
The IUPAC name of N-[[5-(2-fluorophenyl)-1H-pyrazol-4-yl]methyl]-2,5-dimethylpyrazol-3-amine (CID 75382057) is N-[[5-(2-fluorophenyl)-1H-pyrazol-4-yl]methyl]-2,5-dimethylpyrazol-3-amine.
What is the SMILES notation for N-[[5-(2-fluorophenyl)-1H-pyrazol-4-yl]methyl]-2,5-dimethylpyrazol-3-amine?
The canonical SMILES for N-[[5-(2-fluorophenyl)-1H-pyrazol-4-yl]methyl]-2,5-dimethylpyrazol-3-amine is Cc1cc(NCc2cn[nH]c2-c2ccccc2F)n(C)n1.
What is the InChIKey of N-[[5-(2-fluorophenyl)-1H-pyrazol-4-yl]methyl]-2,5-dimethylpyrazol-3-amine?
The InChIKey is KJRYIXMDMFJMIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16FN5/c1-10-7-14(21(2)20-10)17-8-11-9-18-19-15(11)12-5-3-4-6-13(12)16/h3-7,9,17H,8H2,1-2H3,(H,18,19).
What are the key properties of N-[[5-(2-fluorophenyl)-1H-pyrazol-4-yl]methyl]-2,5-dimethylpyrazol-3-amine?
N-[[5-(2-fluorophenyl)-1H-pyrazol-4-yl]methyl]-2,5-dimethylpyrazol-3-amine has a molecular weight of 285.33 g/mol, XLogP of 2.87, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(2-fluorophenyl)-1H-pyrazol-4-yl]methyl]-2,5-dimethylpyrazol-3-amine is sourced from PubChem (CID 75382057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).