1-(2-fluoropropyl)-5-(2-methoxyethyl)pyrazol-4-amine

C9H16FN3O — CID 145428107

IUPAC1-(2-fluoropropyl)-5-(2-methoxyethyl)pyrazol-4-amine
SMILESCOCCc1c(N)cnn1CC(C)F
InChIInChI=1S/C9H16FN3O/c1-7(10)6-13-9(3-4-14-2)8(11)5-12-13/h5,7H,3-4,6,11H2,1-2H3
InChIKeyHNBIHPWXEQBXLI-UHFFFAOYSA-N
MW201.25 g/mol
LogP1.01
Rot. Bonds5

About 1-(2-fluoropropyl)-5-(2-methoxyethyl)pyrazol-4-amine

1-(2-fluoropropyl)-5-(2-methoxyethyl)pyrazol-4-amine (PubChem CID 145428107) has the molecular formula C9H16FN3O and a molecular weight of 201.25 g/mol. Its IUPAC name is 1-(2-fluoropropyl)-5-(2-methoxyethyl)pyrazol-4-amine.

Molecular Properties

Compound Name1-(2-fluoropropyl)-5-(2-methoxyethyl)pyrazol-4-amine
PubChem CID145428107
Molecular FormulaC9H16FN3O
Molecular Weight201.25 g/mol
Exact Mass201.13
IUPAC Name1-(2-fluoropropyl)-5-(2-methoxyethyl)pyrazol-4-amine
SMILESCOCCc1c(N)cnn1CC(C)F
InChIInChI=1S/C9H16FN3O/c1-7(10)6-13-9(3-4-14-2)8(11)5-12-13/h5,7H,3-4,6,11H2,1-2H3
InChIKeyHNBIHPWXEQBXLI-UHFFFAOYSA-N
XLogP1.01
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.25
LogP ≤ 51.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-butyl-5-ethyl-1H-pyrazol-4-amine
CID 66440830
5-ethyl-1-(pentan-3-yl)-1H-pyrazol-4-amine
CID 66441235
1-(3-Fluorooxan-4-yl)-3-methylpyrazol-4-amine
CID 90010341
1-(3-Fluorooxan-4-yl)-5-methylpyrazol-4-amine
CID 118280761
5-ethyl-1-[(3S,4S)-3-fluoro-1-(oxetan-3-yl)piperidin-4-yl]pyrazol-4-amine
CID 118280788
5-Ethyl-1-[3-fluoro-1-(oxetan-3-yl)piperidin-4-yl]pyrazol-4-amine
CID 118288855
3-(2-Fluoroethyl)-1-methylpyrazol-4-amine
CID 122516484
5-ethyl-1-[(3R,4R)-3-fluoro-1-(oxetan-3-yl)piperidin-4-yl]pyrazol-4-amine
CID 140765984
3-(1-Fluoroethyl)-1-methylpyrazol-4-amine
CID 144511052
1-(2,2-Difluoroethyl)-3-(2-methoxyethyl)pyrazol-4-amine
CID 146569727
1-(2,2-Difluoroethyl)-5-(2-methoxyethyl)pyrazol-4-amine
CID 146569730
1-(2-Propylpyrazol-3-yl)-3-(2,2,2-trifluoroethoxy)propan-1-amine
CID 103148123

Frequently Asked Questions

What is the IUPAC name of 1-(2-fluoropropyl)-5-(2-methoxyethyl)pyrazol-4-amine?
The IUPAC name of 1-(2-fluoropropyl)-5-(2-methoxyethyl)pyrazol-4-amine (CID 145428107) is 1-(2-fluoropropyl)-5-(2-methoxyethyl)pyrazol-4-amine.
What is the SMILES notation for 1-(2-fluoropropyl)-5-(2-methoxyethyl)pyrazol-4-amine?
The canonical SMILES for 1-(2-fluoropropyl)-5-(2-methoxyethyl)pyrazol-4-amine is COCCc1c(N)cnn1CC(C)F.
What is the InChIKey of 1-(2-fluoropropyl)-5-(2-methoxyethyl)pyrazol-4-amine?
The InChIKey is HNBIHPWXEQBXLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16FN3O/c1-7(10)6-13-9(3-4-14-2)8(11)5-12-13/h5,7H,3-4,6,11H2,1-2H3.
What are the key properties of 1-(2-fluoropropyl)-5-(2-methoxyethyl)pyrazol-4-amine?
1-(2-fluoropropyl)-5-(2-methoxyethyl)pyrazol-4-amine has a molecular weight of 201.25 g/mol, XLogP of 1.01, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluoropropyl)-5-(2-methoxyethyl)pyrazol-4-amine is sourced from PubChem (CID 145428107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).