1-(2-fluoroethyl)-4-methyl-N-propylpyrazol-5-amine

C9H16FN3 — CID 122169037

IUPAC1-(2-fluoroethyl)-4-methyl-N-propylpyrazol-5-amine
SMILESCCCNc1c(C)cnn1CCF
InChIInChI=1S/C9H16FN3/c1-3-5-11-9-8(2)7-12-13(9)6-4-10/h7,11H,3-6H2,1-2H3
InChIKeyWCWXOZMUWHCREV-UHFFFAOYSA-N
MW185.25 g/mol
LogP1.98
Rot. Bonds5

About 1-(2-fluoroethyl)-4-methyl-N-propylpyrazol-5-amine

1-(2-fluoroethyl)-4-methyl-N-propylpyrazol-5-amine (PubChem CID 122169037) has the molecular formula C9H16FN3 and a molecular weight of 185.25 g/mol. Its IUPAC name is 1-(2-fluoroethyl)-4-methyl-N-propylpyrazol-5-amine.

Molecular Properties

Compound Name1-(2-fluoroethyl)-4-methyl-N-propylpyrazol-5-amine
PubChem CID122169037
Molecular FormulaC9H16FN3
Molecular Weight185.25 g/mol
Exact Mass185.13
IUPAC Name1-(2-fluoroethyl)-4-methyl-N-propylpyrazol-5-amine
SMILESCCCNc1c(C)cnn1CCF
InChIInChI=1S/C9H16FN3/c1-3-5-11-9-8(2)7-12-13(9)6-4-10/h7,11H,3-6H2,1-2H3
InChIKeyWCWXOZMUWHCREV-UHFFFAOYSA-N
XLogP1.98
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.25
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-fluoroethyl)-4-methyl-N-pentylpyrazol-5-amine
CID 122168913
1-(2-fluoroethyl)-4-methyl-N-[(1-methylpyrazol-4-yl)methyl]pyrazol-5-amine;hydrochloride
CID 126968159
N-[(2,3-difluorophenyl)methyl]-1-(2-fluoroethyl)-4-methylpyrazol-5-amine
CID 122168272
1-(2-fluoroethyl)-N-[(4-methoxyphenyl)methyl]-4-methylpyrazol-5-amine;hydrochloride
CID 126964046
4-[[[1-(2-fluoroethyl)-4-methylpyrazol-5-yl]amino]methyl]benzene-1,3-diol;hydrochloride
CID 126968314
1-(2-fluoroethyl)-5-methyl-N-pentylpyrazol-4-amine;hydrochloride
CID 126965034
N-[(1-ethyl-4-methylpyrazol-5-yl)methyl]-1-(2-fluoroethyl)pyrazol-4-amine;hydrochloride
CID 126964764
N-butyl-1-(2-fluoroethyl)-4-methylpyrazol-3-amine;hydrochloride
CID 126966977
N-[(1,4-dimethylpyrazol-5-yl)methyl]-1-[2-(2-fluoroethyl)pyrazol-3-yl]methanamine
CID 122166846
2-[(2,6-dimethylphenyl)methyl]-5-(propylamino)pyridazin-3-one
CID 103220165
ethane;1-ethyl-5-fluoro-4-methylpyrazole
CID 169218374
2-[(2-methylphenyl)methyl]-5-(propylamino)pyridazin-3-one
CID 103220104

Frequently Asked Questions

What is the IUPAC name of 1-(2-fluoroethyl)-4-methyl-N-propylpyrazol-5-amine?
The IUPAC name of 1-(2-fluoroethyl)-4-methyl-N-propylpyrazol-5-amine (CID 122169037) is 1-(2-fluoroethyl)-4-methyl-N-propylpyrazol-5-amine.
What is the SMILES notation for 1-(2-fluoroethyl)-4-methyl-N-propylpyrazol-5-amine?
The canonical SMILES for 1-(2-fluoroethyl)-4-methyl-N-propylpyrazol-5-amine is CCCNc1c(C)cnn1CCF.
What is the InChIKey of 1-(2-fluoroethyl)-4-methyl-N-propylpyrazol-5-amine?
The InChIKey is WCWXOZMUWHCREV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16FN3/c1-3-5-11-9-8(2)7-12-13(9)6-4-10/h7,11H,3-6H2,1-2H3.
What are the key properties of 1-(2-fluoroethyl)-4-methyl-N-propylpyrazol-5-amine?
1-(2-fluoroethyl)-4-methyl-N-propylpyrazol-5-amine has a molecular weight of 185.25 g/mol, XLogP of 1.98, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluoroethyl)-4-methyl-N-propylpyrazol-5-amine is sourced from PubChem (CID 122169037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).