5-fluoro-N-[2-(1-methylpyrazol-4-yl)ethyl]pyridin-2-amine

C11H13FN4 — CID 80689197

IUPAC5-fluoro-N-[2-(1-methylpyrazol-4-yl)ethyl]pyridin-2-amine
SMILESCn1cc(CCNc2ccc(F)cn2)cn1
InChIInChI=1S/C11H13FN4/c1-16-8-9(6-15-16)4-5-13-11-3-2-10(12)7-14-11/h2-3,6-8H,4-5H2,1H3,(H,13,14)
InChIKeyXGJMVFKCKCLWNZ-UHFFFAOYSA-N
MW220.25 g/mol
LogP1.61
Rot. Bonds4

About 5-fluoro-N-[2-(1-methylpyrazol-4-yl)ethyl]pyridin-2-amine

5-fluoro-N-[2-(1-methylpyrazol-4-yl)ethyl]pyridin-2-amine (PubChem CID 80689197) has the molecular formula C11H13FN4 and a molecular weight of 220.25 g/mol. Its IUPAC name is 5-fluoro-N-[2-(1-methylpyrazol-4-yl)ethyl]pyridin-2-amine.

Molecular Properties

Compound Name5-fluoro-N-[2-(1-methylpyrazol-4-yl)ethyl]pyridin-2-amine
PubChem CID80689197
Molecular FormulaC11H13FN4
Molecular Weight220.25 g/mol
Exact Mass220.11
IUPAC Name5-fluoro-N-[2-(1-methylpyrazol-4-yl)ethyl]pyridin-2-amine
SMILESCn1cc(CCNc2ccc(F)cn2)cn1
InChIInChI=1S/C11H13FN4/c1-16-8-9(6-15-16)4-5-13-11-3-2-10(12)7-14-11/h2-3,6-8H,4-5H2,1H3,(H,13,14)
InChIKeyXGJMVFKCKCLWNZ-UHFFFAOYSA-N
XLogP1.61
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.25
LogP ≤ 51.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-fluoro-2-iodo-N-[2-(1-methylpyrazol-4-yl)ethyl]aniline
CID 103734755
N-[(4-fluorophenyl)methyl]-2-(1-methylpyrazol-4-yl)ethanamine
CID 112730059
6-N-[2-(1-methylpyrazol-4-yl)ethyl]pyridine-2,3,6-triamine
CID 80680913
4-fluoro-2-methoxy-N-[2-(1-methylpyrazol-4-yl)ethyl]aniline
CID 113240613
6-N-ethyl-4-N-[2-(1-methylpyrazol-4-yl)ethyl]pyrimidine-4,6-diamine
CID 80853555
2,3-difluoro-4-[2-(1-methylpyrazol-4-yl)ethylamino]benzoic acid
CID 80688629
5-[2-(1-methylpyrazol-4-yl)ethylamino]pyrazine-2-carbothioamide
CID 80681946
4-fluoro-N-[2-(1-methylpyrazol-4-yl)ethyl]-2-(trifluoromethylsulfonyl)aniline
CID 133283529
N-[2-(1-methylpyrazol-4-yl)ethyl]-6-propylpyrimidin-4-amine
CID 80689109
5-fluoro-N-(2-fluoroethyl)pyridin-2-amine
CID 130504146
4-bromo-2-fluoro-N-[2-(1-methylpyrazol-4-yl)ethyl]aniline
CID 103688584
6-(cyclopropylmethoxy)-2-N-[2-(1-methylpyrazol-4-yl)ethyl]pyridine-2,5-diamine
CID 80685641

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-N-[2-(1-methylpyrazol-4-yl)ethyl]pyridin-2-amine?
The IUPAC name of 5-fluoro-N-[2-(1-methylpyrazol-4-yl)ethyl]pyridin-2-amine (CID 80689197) is 5-fluoro-N-[2-(1-methylpyrazol-4-yl)ethyl]pyridin-2-amine.
What is the SMILES notation for 5-fluoro-N-[2-(1-methylpyrazol-4-yl)ethyl]pyridin-2-amine?
The canonical SMILES for 5-fluoro-N-[2-(1-methylpyrazol-4-yl)ethyl]pyridin-2-amine is Cn1cc(CCNc2ccc(F)cn2)cn1.
What is the InChIKey of 5-fluoro-N-[2-(1-methylpyrazol-4-yl)ethyl]pyridin-2-amine?
The InChIKey is XGJMVFKCKCLWNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13FN4/c1-16-8-9(6-15-16)4-5-13-11-3-2-10(12)7-14-11/h2-3,6-8H,4-5H2,1H3,(H,13,14).
What are the key properties of 5-fluoro-N-[2-(1-methylpyrazol-4-yl)ethyl]pyridin-2-amine?
5-fluoro-N-[2-(1-methylpyrazol-4-yl)ethyl]pyridin-2-amine has a molecular weight of 220.25 g/mol, XLogP of 1.61, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-N-[2-(1-methylpyrazol-4-yl)ethyl]pyridin-2-amine is sourced from PubChem (CID 80689197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).