3-chloro-1-(5-fluoro-3-pyridinyl)-N-methylpyrazol-4-amine

C9H8ClFN4 — CID 67499763

IUPAC3-chloro-1-(5-fluoro-3-pyridinyl)-N-methylpyrazol-4-amine
SMILESCNc1cn(-c2cncc(F)c2)nc1Cl
InChIInChI=1S/C9H8ClFN4/c1-12-8-5-15(14-9(8)10)7-2-6(11)3-13-4-7/h2-5,12H,1H3
InChIKeyHVCYEQIOCCVBGB-UHFFFAOYSA-N
MW226.64 g/mol
LogP2.10
Rot. Bonds2

About 3-chloro-1-(5-fluoro-3-pyridinyl)-N-methylpyrazol-4-amine

3-chloro-1-(5-fluoro-3-pyridinyl)-N-methylpyrazol-4-amine (PubChem CID 67499763) has the molecular formula C9H8ClFN4 and a molecular weight of 226.64 g/mol. Its IUPAC name is 3-chloro-1-(5-fluoro-3-pyridinyl)-N-methylpyrazol-4-amine.

Molecular Properties

Compound Name3-chloro-1-(5-fluoro-3-pyridinyl)-N-methylpyrazol-4-amine
PubChem CID67499763
Molecular FormulaC9H8ClFN4
Molecular Weight226.64 g/mol
Exact Mass226.04
IUPAC Name3-chloro-1-(5-fluoro-3-pyridinyl)-N-methylpyrazol-4-amine
SMILESCNc1cn(-c2cncc(F)c2)nc1Cl
InChIInChI=1S/C9H8ClFN4/c1-12-8-5-15(14-9(8)10)7-2-6(11)3-13-4-7/h2-5,12H,1H3
InChIKeyHVCYEQIOCCVBGB-UHFFFAOYSA-N
XLogP2.10
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.64
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-chloro-1-(5-methoxy-3-pyridinyl)-N-methylpyrazol-4-amine
CID 86700650
tert-butyl N-[3-chloro-1-(5-fluoro-3-pyridinyl)pyrazol-4-yl]carbamate
CID 90359788
2-[3-chloro-1-(5-fluoro-3-pyridinyl)pyrazol-4-yl]ethynethiol
CID 137393073
3-(3-chloro-4-nitropyrazol-1-yl)-5-fluoropyridine
CID 67500211
2-[3-chloro-1-(5-fluoro-3-pyridinyl)pyrazol-4-yl]ethynyl thiohypoiodite;ethane
CID 145347265
3-(3,4-dimethylpyrazol-1-yl)-5-fluoropyridine
CID 123217736
N-[3-chloro-1-(5-fluoro-3-pyridinyl)pyrazol-4-yl]-N-ethyl-2-methylbut-2-enamide
CID 67499275
[[3-ethenyl-1-(5-fluoro-3-pyridinyl)pyrazol-4-yl]amino]-[(2-methylpropan-2-yl)oxy]methanol
CID 129156253
3-[4-(chloromethyl)triazol-1-yl]-5-fluoropyridine
CID 130496986
N-[3-chloro-1-(5-fluoro-3-pyridinyl)pyrazol-4-yl]-N-ethyl-2-methyl-3-methylsulfanylpropanamide
CID 90359786
3-fluoro-5-(4-isothiocyanato-3-methylpyrazol-1-yl)pyridine
CID 86700629
2-bromopyrimidine;3-(3-chloro-4-ethynylpyrazol-1-yl)-5-fluoropyridine;2-[2-[3-chloro-1-(5-fluoro-3-pyridinyl)pyrazol-4-yl]ethynyl]pyrimidine;methane
CID 157272843

Frequently Asked Questions

What is the IUPAC name of 3-chloro-1-(5-fluoro-3-pyridinyl)-N-methylpyrazol-4-amine?
The IUPAC name of 3-chloro-1-(5-fluoro-3-pyridinyl)-N-methylpyrazol-4-amine (CID 67499763) is 3-chloro-1-(5-fluoro-3-pyridinyl)-N-methylpyrazol-4-amine.
What is the SMILES notation for 3-chloro-1-(5-fluoro-3-pyridinyl)-N-methylpyrazol-4-amine?
The canonical SMILES for 3-chloro-1-(5-fluoro-3-pyridinyl)-N-methylpyrazol-4-amine is CNc1cn(-c2cncc(F)c2)nc1Cl.
What is the InChIKey of 3-chloro-1-(5-fluoro-3-pyridinyl)-N-methylpyrazol-4-amine?
The InChIKey is HVCYEQIOCCVBGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8ClFN4/c1-12-8-5-15(14-9(8)10)7-2-6(11)3-13-4-7/h2-5,12H,1H3.
What are the key properties of 3-chloro-1-(5-fluoro-3-pyridinyl)-N-methylpyrazol-4-amine?
3-chloro-1-(5-fluoro-3-pyridinyl)-N-methylpyrazol-4-amine has a molecular weight of 226.64 g/mol, XLogP of 2.10, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-1-(5-fluoro-3-pyridinyl)-N-methylpyrazol-4-amine is sourced from PubChem (CID 67499763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).