3-(4-chloro-3-ethyl-1-methylpyrazol-5-yl)-2-cyclopropyl-2-fluoropropan-1-amine

C12H19ClFN3 — CID 112567110

IUPAC3-(4-chloro-3-ethyl-1-methylpyrazol-5-yl)-2-cyclopropyl-2-fluoropropan-1-amine
SMILESCCc1nn(C)c(CC(F)(CN)C2CC2)c1Cl
InChIInChI=1S/C12H19ClFN3/c1-3-9-11(13)10(17(2)16-9)6-12(14,7-15)8-4-5-8/h8H,3-7,15H2,1-2H3
InChIKeyGBXIGXSHDPGCNP-UHFFFAOYSA-N
MW259.76 g/mol
LogP2.26
Rot. Bonds5

About 3-(4-chloro-3-ethyl-1-methylpyrazol-5-yl)-2-cyclopropyl-2-fluoropropan-1-amine

3-(4-chloro-3-ethyl-1-methylpyrazol-5-yl)-2-cyclopropyl-2-fluoropropan-1-amine (PubChem CID 112567110) has the molecular formula C12H19ClFN3 and a molecular weight of 259.76 g/mol. Its IUPAC name is 3-(4-chloro-3-ethyl-1-methylpyrazol-5-yl)-2-cyclopropyl-2-fluoropropan-1-amine.

Molecular Properties

Compound Name3-(4-chloro-3-ethyl-1-methylpyrazol-5-yl)-2-cyclopropyl-2-fluoropropan-1-amine
PubChem CID112567110
Molecular FormulaC12H19ClFN3
Molecular Weight259.76 g/mol
Exact Mass259.13
IUPAC Name3-(4-chloro-3-ethyl-1-methylpyrazol-5-yl)-2-cyclopropyl-2-fluoropropan-1-amine
SMILESCCc1nn(C)c(CC(F)(CN)C2CC2)c1Cl
InChIInChI=1S/C12H19ClFN3/c1-3-9-11(13)10(17(2)16-9)6-12(14,7-15)8-4-5-8/h8H,3-7,15H2,1-2H3
InChIKeyGBXIGXSHDPGCNP-UHFFFAOYSA-N
XLogP2.26
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.76
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(4-chloro-3-ethyl-1-methylpyrazol-5-yl)methyl]-2-fluorobutan-1-amine
CID 112565954
1-amino-3-(4-chloro-3-ethyl-1-methylpyrazol-5-yl)-2-methylpropan-2-ol
CID 66037920
4-chloro-5-[2-(chloromethyl)-2-methylbutyl]-3-ethyl-1-methylpyrazole
CID 66033404
3-(4-chloro-3-ethyl-1-methylpyrazol-5-yl)-2,2-dimethylpropan-1-ol
CID 66026714
3-(4-bromo-3-ethyl-1-methylpyrazol-5-yl)-2-cyclopropyl-2-methylpropan-1-amine
CID 83148626
(4-chloro-3-ethyl-1-methylpyrazol-5-yl)methanol
CID 57359274
2-(aminomethyl)-3-(4-chloro-1,3-diethylpyrazol-5-yl)-2-cyclopropylpropan-1-ol
CID 106506603
1-(4-chloro-3-ethyl-1-methylpyrazol-5-yl)-3-methoxy-2,3-dimethylbutan-2-ol
CID 114228361
2-(4-chloro-3-ethyl-1-methylpyrazol-5-yl)-1-cyclooctylethanamine
CID 80603768
1-(4-chloro-3-ethyl-1-methylpyrazol-5-yl)-4-cyclopentylbutan-2-one
CID 114980531
1-(4-chloro-3-ethyl-1-methylpyrazol-5-yl)-3-(2,2,2-trifluoroethoxy)propan-2-amine
CID 103215619
N-[(4-chloro-3-ethyl-1-methylpyrazol-5-yl)methyl]-3-cyclopentylpropan-1-amine
CID 106010533

Frequently Asked Questions

What is the IUPAC name of 3-(4-chloro-3-ethyl-1-methylpyrazol-5-yl)-2-cyclopropyl-2-fluoropropan-1-amine?
The IUPAC name of 3-(4-chloro-3-ethyl-1-methylpyrazol-5-yl)-2-cyclopropyl-2-fluoropropan-1-amine (CID 112567110) is 3-(4-chloro-3-ethyl-1-methylpyrazol-5-yl)-2-cyclopropyl-2-fluoropropan-1-amine.
What is the SMILES notation for 3-(4-chloro-3-ethyl-1-methylpyrazol-5-yl)-2-cyclopropyl-2-fluoropropan-1-amine?
The canonical SMILES for 3-(4-chloro-3-ethyl-1-methylpyrazol-5-yl)-2-cyclopropyl-2-fluoropropan-1-amine is CCc1nn(C)c(CC(F)(CN)C2CC2)c1Cl.
What is the InChIKey of 3-(4-chloro-3-ethyl-1-methylpyrazol-5-yl)-2-cyclopropyl-2-fluoropropan-1-amine?
The InChIKey is GBXIGXSHDPGCNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19ClFN3/c1-3-9-11(13)10(17(2)16-9)6-12(14,7-15)8-4-5-8/h8H,3-7,15H2,1-2H3.
What are the key properties of 3-(4-chloro-3-ethyl-1-methylpyrazol-5-yl)-2-cyclopropyl-2-fluoropropan-1-amine?
3-(4-chloro-3-ethyl-1-methylpyrazol-5-yl)-2-cyclopropyl-2-fluoropropan-1-amine has a molecular weight of 259.76 g/mol, XLogP of 2.26, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chloro-3-ethyl-1-methylpyrazol-5-yl)-2-cyclopropyl-2-fluoropropan-1-amine is sourced from PubChem (CID 112567110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).