2-fluoro-N-(1H-pyrazol-4-ylmethyl)aniline

C10H10FN3 — CID 130629181

IUPAC2-fluoro-N-(1H-pyrazol-4-ylmethyl)aniline
SMILESFc1ccccc1NCc1cn[nH]c1
InChIInChI=1S/C10H10FN3/c11-9-3-1-2-4-10(9)12-5-8-6-13-14-7-8/h1-4,6-7,12H,5H2,(H,13,14)
InChIKeyVCSWFHOVUXZMMY-UHFFFAOYSA-N
MW191.21 g/mol
LogP2.16
Rot. Bonds3

About 2-fluoro-N-(1H-pyrazol-4-ylmethyl)aniline

2-fluoro-N-(1H-pyrazol-4-ylmethyl)aniline (PubChem CID 130629181) has the molecular formula C10H10FN3 and a molecular weight of 191.21 g/mol. Its IUPAC name is 2-fluoro-N-(1H-pyrazol-4-ylmethyl)aniline.

Molecular Properties

Compound Name2-fluoro-N-(1H-pyrazol-4-ylmethyl)aniline
PubChem CID130629181
Molecular FormulaC10H10FN3
Molecular Weight191.21 g/mol
Exact Mass191.09
IUPAC Name2-fluoro-N-(1H-pyrazol-4-ylmethyl)aniline
SMILESFc1ccccc1NCc1cn[nH]c1
InChIInChI=1S/C10H10FN3/c11-9-3-1-2-4-10(9)12-5-8-6-13-14-7-8/h1-4,6-7,12H,5H2,(H,13,14)
InChIKeyVCSWFHOVUXZMMY-UHFFFAOYSA-N
XLogP2.16
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.21
LogP ≤ 52.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-fluoro-N-(1H-pyrazol-4-ylmethyl)aniline?
The IUPAC name of 2-fluoro-N-(1H-pyrazol-4-ylmethyl)aniline (CID 130629181) is 2-fluoro-N-(1H-pyrazol-4-ylmethyl)aniline.
What is the SMILES notation for 2-fluoro-N-(1H-pyrazol-4-ylmethyl)aniline?
The canonical SMILES for 2-fluoro-N-(1H-pyrazol-4-ylmethyl)aniline is Fc1ccccc1NCc1cn[nH]c1.
What is the InChIKey of 2-fluoro-N-(1H-pyrazol-4-ylmethyl)aniline?
The InChIKey is VCSWFHOVUXZMMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10FN3/c11-9-3-1-2-4-10(9)12-5-8-6-13-14-7-8/h1-4,6-7,12H,5H2,(H,13,14).
What are the key properties of 2-fluoro-N-(1H-pyrazol-4-ylmethyl)aniline?
2-fluoro-N-(1H-pyrazol-4-ylmethyl)aniline has a molecular weight of 191.21 g/mol, XLogP of 2.16, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-N-(1H-pyrazol-4-ylmethyl)aniline is sourced from PubChem (CID 130629181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).