(2,5-difluorophenyl)-(1,5-dimethylpyrazol-3-yl)methanamine

C12H13F2N3 — CID 114219213

IUPAC(2,5-difluorophenyl)-(1,5-dimethylpyrazol-3-yl)methanamine
SMILESCc1cc(C(N)c2cc(F)ccc2F)nn1C
InChIInChI=1S/C12H13F2N3/c1-7-5-11(16-17(7)2)12(15)9-6-8(13)3-4-10(9)14/h3-6,12H,15H2,1-2H3
InChIKeyXNRWCMHBHBEZPS-UHFFFAOYSA-N
MW237.25 g/mol
LogP2.05
Rot. Bonds2

About (2,5-difluorophenyl)-(1,5-dimethylpyrazol-3-yl)methanamine

(2,5-difluorophenyl)-(1,5-dimethylpyrazol-3-yl)methanamine (PubChem CID 114219213) has the molecular formula C12H13F2N3 and a molecular weight of 237.25 g/mol. Its IUPAC name is (2,5-difluorophenyl)-(1,5-dimethylpyrazol-3-yl)methanamine.

Molecular Properties

Compound Name(2,5-difluorophenyl)-(1,5-dimethylpyrazol-3-yl)methanamine
PubChem CID114219213
Molecular FormulaC12H13F2N3
Molecular Weight237.25 g/mol
Exact Mass237.11
IUPAC Name(2,5-difluorophenyl)-(1,5-dimethylpyrazol-3-yl)methanamine
SMILESCc1cc(C(N)c2cc(F)ccc2F)nn1C
InChIInChI=1S/C12H13F2N3/c1-7-5-11(16-17(7)2)12(15)9-6-8(13)3-4-10(9)14/h3-6,12H,15H2,1-2H3
InChIKeyXNRWCMHBHBEZPS-UHFFFAOYSA-N
XLogP2.05
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.25
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(5-chloro-2-fluorophenyl)-1-(1,5-dimethylpyrazol-3-yl)ethanamine
CID 114220113
(2,5-difluorophenyl)-(1-methylimidazol-2-yl)methanamine
CID 63974752
1-(1,5-dimethylpyrazol-3-yl)-1-(4-fluorophenyl)-N-methylmethanamine
CID 114219126
(2,5-difluorophenyl)-(2-fluoro-4,6-dimethylphenyl)methanamine
CID 106881519
N-[1-(2,5-difluorophenyl)ethyl]-1,3,5-trimethylpyrazol-4-amine
CID 43204509
(2,5-difluorophenyl)-(2-methyl-4-pyridinyl)methanamine
CID 106755257
1,5-dimethyl-3-propan-2-ylpyrazole
CID 10796815
(2,4-difluorophenyl)-(1-methylimidazol-4-yl)methanamine
CID 107974964
(2,5-difluorophenyl)-(4-methylthiophen-3-yl)methanamine
CID 79802254
(1S)-1-(2,5-difluorophenyl)ethanamine;hydrochloride
CID 53484729
2-(2-chloro-5-fluorophenyl)-1-(1,5-dimethylpyrazol-3-yl)ethanol
CID 114220171
(1,5-dimethylpyrazol-3-yl)-(3-methoxy-2-pyridinyl)methanamine
CID 114220495

Frequently Asked Questions

What is the IUPAC name of (2,5-difluorophenyl)-(1,5-dimethylpyrazol-3-yl)methanamine?
The IUPAC name of (2,5-difluorophenyl)-(1,5-dimethylpyrazol-3-yl)methanamine (CID 114219213) is (2,5-difluorophenyl)-(1,5-dimethylpyrazol-3-yl)methanamine.
What is the SMILES notation for (2,5-difluorophenyl)-(1,5-dimethylpyrazol-3-yl)methanamine?
The canonical SMILES for (2,5-difluorophenyl)-(1,5-dimethylpyrazol-3-yl)methanamine is Cc1cc(C(N)c2cc(F)ccc2F)nn1C.
What is the InChIKey of (2,5-difluorophenyl)-(1,5-dimethylpyrazol-3-yl)methanamine?
The InChIKey is XNRWCMHBHBEZPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13F2N3/c1-7-5-11(16-17(7)2)12(15)9-6-8(13)3-4-10(9)14/h3-6,12H,15H2,1-2H3.
What are the key properties of (2,5-difluorophenyl)-(1,5-dimethylpyrazol-3-yl)methanamine?
(2,5-difluorophenyl)-(1,5-dimethylpyrazol-3-yl)methanamine has a molecular weight of 237.25 g/mol, XLogP of 2.05, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2,5-difluorophenyl)-(1,5-dimethylpyrazol-3-yl)methanamine is sourced from PubChem (CID 114219213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).