1-(2-fluoroethyl)-5-methyl-N-pentylpyrazol-4-amine;hydrochloride

C11H21ClFN3 — CID 126965034

IUPAC1-(2-fluoroethyl)-5-methyl-N-pentylpyrazol-4-amine;hydrochloride
SMILESCCCCCNc1cnn(CCF)c1C.Cl
InChIInChI=1S/C11H20FN3.ClH/c1-3-4-5-7-13-11-9-14-15(8-6-12)10(11)2;/h9,13H,3-8H2,1-2H3;1H
InChIKeyCPJXVHRYGXAFLJ-UHFFFAOYSA-N
MW249.76 g/mol
LogP3.18
Rot. Bonds7

About 1-(2-fluoroethyl)-5-methyl-N-pentylpyrazol-4-amine;hydrochloride

1-(2-fluoroethyl)-5-methyl-N-pentylpyrazol-4-amine;hydrochloride (PubChem CID 126965034) has the molecular formula C11H21ClFN3 and a molecular weight of 249.76 g/mol. Its IUPAC name is 1-(2-fluoroethyl)-5-methyl-N-pentylpyrazol-4-amine;hydrochloride.

Molecular Properties

Compound Name1-(2-fluoroethyl)-5-methyl-N-pentylpyrazol-4-amine;hydrochloride
PubChem CID126965034
Molecular FormulaC11H21ClFN3
Molecular Weight249.76 g/mol
Exact Mass249.14
IUPAC Name1-(2-fluoroethyl)-5-methyl-N-pentylpyrazol-4-amine;hydrochloride
SMILESCCCCCNc1cnn(CCF)c1C.Cl
InChIInChI=1S/C11H20FN3.ClH/c1-3-4-5-7-13-11-9-14-15(8-6-12)10(11)2;/h9,13H,3-8H2,1-2H3;1H
InChIKeyCPJXVHRYGXAFLJ-UHFFFAOYSA-N
XLogP3.18
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.76
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-(2-fluoroethyl)-4-methyl-N-pentylpyrazol-5-amine
CID 122168913
N-butyl-1-(2-fluoroethyl)-3-methylpyrazol-4-amine
CID 122168973
2-butyl-4-chloro-5-(pentylamino)pyridazin-3-one
CID 114432168
1-(2-fluoroethyl)-5-methyl-N-[[1-(2-methylpropyl)pyrazol-4-yl]methyl]pyrazol-4-amine;hydrochloride
CID 126963874
1-(2-fluoroethyl)-4-methyl-N-propylpyrazol-5-amine
CID 122169037
1-(2-fluoroethyl)-N-[(2-methoxyphenyl)methyl]-5-methylpyrazol-4-amine
CID 122168358
1-butyl-5-methyl-N-(pyridin-3-ylmethyl)pyrazol-4-amine
CID 75442665
N-butyl-1-(2-fluoroethyl)-4-methylpyrazol-3-amine;hydrochloride
CID 126966977
1-butyl-3-(1-ethyl-5-methylpyrazol-4-yl)thiourea
CID 19344521
N-butyl-1,3-dimethylpyrazol-4-amine;hydrochloride
CID 126965542
5-(3-aminopropylamino)-2-butyl-4-chloropyridazin-3-one
CID 114444467
5-(2-aminoethylamino)-4-bromo-2-butylpyridazin-3-one
CID 114444079

Frequently Asked Questions

What is the IUPAC name of 1-(2-fluoroethyl)-5-methyl-N-pentylpyrazol-4-amine;hydrochloride?
The IUPAC name of 1-(2-fluoroethyl)-5-methyl-N-pentylpyrazol-4-amine;hydrochloride (CID 126965034) is 1-(2-fluoroethyl)-5-methyl-N-pentylpyrazol-4-amine;hydrochloride.
What is the SMILES notation for 1-(2-fluoroethyl)-5-methyl-N-pentylpyrazol-4-amine;hydrochloride?
The canonical SMILES for 1-(2-fluoroethyl)-5-methyl-N-pentylpyrazol-4-amine;hydrochloride is CCCCCNc1cnn(CCF)c1C.Cl.
What is the InChIKey of 1-(2-fluoroethyl)-5-methyl-N-pentylpyrazol-4-amine;hydrochloride?
The InChIKey is CPJXVHRYGXAFLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20FN3.ClH/c1-3-4-5-7-13-11-9-14-15(8-6-12)10(11)2;/h9,13H,3-8H2,1-2H3;1H.
What are the key properties of 1-(2-fluoroethyl)-5-methyl-N-pentylpyrazol-4-amine;hydrochloride?
1-(2-fluoroethyl)-5-methyl-N-pentylpyrazol-4-amine;hydrochloride has a molecular weight of 249.76 g/mol, XLogP of 3.18, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluoroethyl)-5-methyl-N-pentylpyrazol-4-amine;hydrochloride is sourced from PubChem (CID 126965034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).