(3,5-difluorophenyl)-(2-methylpyrazol-3-yl)methanamine

C11H11F2N3 — CID 63963313

IUPAC(3,5-difluorophenyl)-(2-methylpyrazol-3-yl)methanamine
SMILESCn1nccc1C(N)c1cc(F)cc(F)c1
InChIInChI=1S/C11H11F2N3/c1-16-10(2-3-15-16)11(14)7-4-8(12)6-9(13)5-7/h2-6,11H,14H2,1H3
InChIKeyKKUOPWXYUOGRLN-UHFFFAOYSA-N
MW223.23 g/mol
LogP1.75
Rot. Bonds2

About (3,5-difluorophenyl)-(2-methylpyrazol-3-yl)methanamine

(3,5-difluorophenyl)-(2-methylpyrazol-3-yl)methanamine (PubChem CID 63963313) has the molecular formula C11H11F2N3 and a molecular weight of 223.23 g/mol. Its IUPAC name is (3,5-difluorophenyl)-(2-methylpyrazol-3-yl)methanamine.

Molecular Properties

Compound Name(3,5-difluorophenyl)-(2-methylpyrazol-3-yl)methanamine
PubChem CID63963313
Molecular FormulaC11H11F2N3
Molecular Weight223.23 g/mol
Exact Mass223.09
IUPAC Name(3,5-difluorophenyl)-(2-methylpyrazol-3-yl)methanamine
SMILESCn1nccc1C(N)c1cc(F)cc(F)c1
InChIInChI=1S/C11H11F2N3/c1-16-10(2-3-15-16)11(14)7-4-8(12)6-9(13)5-7/h2-6,11H,14H2,1H3
InChIKeyKKUOPWXYUOGRLN-UHFFFAOYSA-N
XLogP1.75
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.23
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2,6-dimethyl-4-pyridinyl)-(2-methylpyrazol-3-yl)methanamine
CID 107503143
(3,5-difluorophenyl)-(2-phenylpyrazol-3-yl)methanamine
CID 107330561
(2-methylpyrazol-3-yl)-(4-methylsulfanylphenyl)methanamine
CID 115858788
(2-methylpyrazol-3-yl)-(5-methyl-3-pyridinyl)methanamine
CID 105148719
(2-methylpyrazol-3-yl)-(5-methylthiophen-3-yl)methanamine
CID 105155652
(3-chlorophenyl)-(2-methylpyrazol-3-yl)methanamine
CID 63963062
(5-fluoro-1-benzothiophen-2-yl)-(2-methylpyrazol-3-yl)methanamine
CID 105148552
(3-bromo-5-fluorophenyl)-(2-ethylpyrazol-3-yl)methanamine
CID 66426059
(4-chloro-2,5-difluorophenyl)-(2-methylpyrazol-3-yl)methanamine
CID 115858401
[3-(2-methylpropyl)phenyl]-(2-methylpyrazol-3-yl)methanamine
CID 105188165
2-(3,5-difluorophenyl)-N-methyl-1-(2-methylpyrazol-3-yl)ethanamine
CID 63963304
(2-bromo-6-fluorophenyl)-(2-methylpyrazol-3-yl)methanamine
CID 114886847

Frequently Asked Questions

What is the IUPAC name of (3,5-difluorophenyl)-(2-methylpyrazol-3-yl)methanamine?
The IUPAC name of (3,5-difluorophenyl)-(2-methylpyrazol-3-yl)methanamine (CID 63963313) is (3,5-difluorophenyl)-(2-methylpyrazol-3-yl)methanamine.
What is the SMILES notation for (3,5-difluorophenyl)-(2-methylpyrazol-3-yl)methanamine?
The canonical SMILES for (3,5-difluorophenyl)-(2-methylpyrazol-3-yl)methanamine is Cn1nccc1C(N)c1cc(F)cc(F)c1.
What is the InChIKey of (3,5-difluorophenyl)-(2-methylpyrazol-3-yl)methanamine?
The InChIKey is KKUOPWXYUOGRLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11F2N3/c1-16-10(2-3-15-16)11(14)7-4-8(12)6-9(13)5-7/h2-6,11H,14H2,1H3.
What are the key properties of (3,5-difluorophenyl)-(2-methylpyrazol-3-yl)methanamine?
(3,5-difluorophenyl)-(2-methylpyrazol-3-yl)methanamine has a molecular weight of 223.23 g/mol, XLogP of 1.75, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3,5-difluorophenyl)-(2-methylpyrazol-3-yl)methanamine is sourced from PubChem (CID 63963313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).