(2,4-difluorophenyl)-(1H-pyrazol-5-yl)methanamine

C10H9F2N3 — CID 82236036

IUPAC(2,4-difluorophenyl)-(1H-pyrazol-5-yl)methanamine
SMILESNC(c1ccn[nH]1)c1ccc(F)cc1F
InChIInChI=1S/C10H9F2N3/c11-6-1-2-7(8(12)5-6)10(13)9-3-4-14-15-9/h1-5,10H,13H2,(H,14,15)
InChIKeyUFTVOPNQTLUSRP-UHFFFAOYSA-N
MW209.20 g/mol
LogP1.74
Rot. Bonds2

About (2,4-difluorophenyl)-(1H-pyrazol-5-yl)methanamine

(2,4-difluorophenyl)-(1H-pyrazol-5-yl)methanamine (PubChem CID 82236036) has the molecular formula C10H9F2N3 and a molecular weight of 209.20 g/mol. Its IUPAC name is (2,4-difluorophenyl)-(1H-pyrazol-5-yl)methanamine.

Molecular Properties

Compound Name(2,4-difluorophenyl)-(1H-pyrazol-5-yl)methanamine
PubChem CID82236036
Molecular FormulaC10H9F2N3
Molecular Weight209.20 g/mol
Exact Mass209.08
IUPAC Name(2,4-difluorophenyl)-(1H-pyrazol-5-yl)methanamine
SMILESNC(c1ccn[nH]1)c1ccc(F)cc1F
InChIInChI=1S/C10H9F2N3/c11-6-1-2-7(8(12)5-6)10(13)9-3-4-14-15-9/h1-5,10H,13H2,(H,14,15)
InChIKeyUFTVOPNQTLUSRP-UHFFFAOYSA-N
XLogP1.74
TPSA54.70 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.20
LogP ≤ 51.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(5-fluoro-2-methoxyphenyl)-(1H-pyrazol-5-yl)methanamine
CID 82237909
1-(2,4-difluorophenyl)-N-methyl-1-(1H-pyrazol-5-yl)methanamine
CID 82237939
(2,4-dichlorophenyl)-(1H-pyrazol-5-yl)methanamine
CID 82236059
N-[1-(2,5-difluorophenyl)ethyl]-1-(1H-pyrazol-5-yl)ethanamine
CID 54881271
(2-amino-5-fluorophenyl)-(1H-pyrazol-5-yl)methanol
CID 105459961
(2,4-difluorophenyl)methanediamine
CID 116939170
(2-chloro-5-fluorophenyl)-(2,4-difluorophenyl)methanamine
CID 105394907
(5-fluoro-2-methoxyphenyl)-(1H-pyrazol-5-yl)methanol
CID 114988826
2,5-difluoro-N-[1-(1H-pyrazol-5-yl)ethyl]aniline
CID 60972171
(1S)-1-(2,4-difluorophenyl)-2,2-difluoroethanamine
CID 28973274
N-[(2,4-difluorophenyl)methyl]-1-(1H-pyrazol-5-yl)ethanamine
CID 62223624
(2,4-difluorophenyl)-(3,5-dimethylphenyl)methanamine
CID 43197780

Frequently Asked Questions

What is the IUPAC name of (2,4-difluorophenyl)-(1H-pyrazol-5-yl)methanamine?
The IUPAC name of (2,4-difluorophenyl)-(1H-pyrazol-5-yl)methanamine (CID 82236036) is (2,4-difluorophenyl)-(1H-pyrazol-5-yl)methanamine.
What is the SMILES notation for (2,4-difluorophenyl)-(1H-pyrazol-5-yl)methanamine?
The canonical SMILES for (2,4-difluorophenyl)-(1H-pyrazol-5-yl)methanamine is NC(c1ccn[nH]1)c1ccc(F)cc1F.
What is the InChIKey of (2,4-difluorophenyl)-(1H-pyrazol-5-yl)methanamine?
The InChIKey is UFTVOPNQTLUSRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9F2N3/c11-6-1-2-7(8(12)5-6)10(13)9-3-4-14-15-9/h1-5,10H,13H2,(H,14,15).
What are the key properties of (2,4-difluorophenyl)-(1H-pyrazol-5-yl)methanamine?
(2,4-difluorophenyl)-(1H-pyrazol-5-yl)methanamine has a molecular weight of 209.20 g/mol, XLogP of 1.74, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2,4-difluorophenyl)-(1H-pyrazol-5-yl)methanamine is sourced from PubChem (CID 82236036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).