2-fluoro-N-[(1-methylimidazol-2-yl)methyl]-6-pyrazol-1-ylaniline

C14H14FN5 — CID 75426060

IUPAC2-fluoro-N-[(1-methylimidazol-2-yl)methyl]-6-pyrazol-1-ylaniline
SMILESCn1ccnc1CNc1c(F)cccc1-n1cccn1
InChIInChI=1S/C14H14FN5/c1-19-9-7-16-13(19)10-17-14-11(15)4-2-5-12(14)20-8-3-6-18-20/h2-9,17H,10H2,1H3
InChIKeyOETRYAWOBNBSPT-UHFFFAOYSA-N
MW271.30 g/mol
LogP2.36
Rot. Bonds4

About 2-fluoro-N-[(1-methylimidazol-2-yl)methyl]-6-pyrazol-1-ylaniline

2-fluoro-N-[(1-methylimidazol-2-yl)methyl]-6-pyrazol-1-ylaniline (PubChem CID 75426060) has the molecular formula C14H14FN5 and a molecular weight of 271.30 g/mol. Its IUPAC name is 2-fluoro-N-[(1-methylimidazol-2-yl)methyl]-6-pyrazol-1-ylaniline.

Molecular Properties

Compound Name2-fluoro-N-[(1-methylimidazol-2-yl)methyl]-6-pyrazol-1-ylaniline
PubChem CID75426060
Molecular FormulaC14H14FN5
Molecular Weight271.30 g/mol
Exact Mass271.12
IUPAC Name2-fluoro-N-[(1-methylimidazol-2-yl)methyl]-6-pyrazol-1-ylaniline
SMILESCn1ccnc1CNc1c(F)cccc1-n1cccn1
InChIInChI=1S/C14H14FN5/c1-19-9-7-16-13(19)10-17-14-11(15)4-2-5-12(14)20-8-3-6-18-20/h2-9,17H,10H2,1H3
InChIKeyOETRYAWOBNBSPT-UHFFFAOYSA-N
XLogP2.36
TPSA47.67 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.30
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-fluoro-N-[(1-methylimidazol-2-yl)methyl]-6-pyrazol-1-ylaniline?
The IUPAC name of 2-fluoro-N-[(1-methylimidazol-2-yl)methyl]-6-pyrazol-1-ylaniline (CID 75426060) is 2-fluoro-N-[(1-methylimidazol-2-yl)methyl]-6-pyrazol-1-ylaniline.
What is the SMILES notation for 2-fluoro-N-[(1-methylimidazol-2-yl)methyl]-6-pyrazol-1-ylaniline?
The canonical SMILES for 2-fluoro-N-[(1-methylimidazol-2-yl)methyl]-6-pyrazol-1-ylaniline is Cn1ccnc1CNc1c(F)cccc1-n1cccn1.
What is the InChIKey of 2-fluoro-N-[(1-methylimidazol-2-yl)methyl]-6-pyrazol-1-ylaniline?
The InChIKey is OETRYAWOBNBSPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14FN5/c1-19-9-7-16-13(19)10-17-14-11(15)4-2-5-12(14)20-8-3-6-18-20/h2-9,17H,10H2,1H3.
What are the key properties of 2-fluoro-N-[(1-methylimidazol-2-yl)methyl]-6-pyrazol-1-ylaniline?
2-fluoro-N-[(1-methylimidazol-2-yl)methyl]-6-pyrazol-1-ylaniline has a molecular weight of 271.30 g/mol, XLogP of 2.36, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-N-[(1-methylimidazol-2-yl)methyl]-6-pyrazol-1-ylaniline is sourced from PubChem (CID 75426060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).