1-(3-fluoro-1-methylpyrazol-4-yl)-N,2-dimethylprop-1-en-1-amine

C9H14FN3 — CID 177039474

IUPAC1-(3-fluoro-1-methylpyrazol-4-yl)-N,2-dimethylprop-1-en-1-amine
SMILESCNC(=C(C)C)c1cn(C)nc1F
InChIInChI=1S/C9H14FN3/c1-6(2)8(11-3)7-5-13(4)12-9(7)10/h5,11H,1-4H3
InChIKeyBXAMULDZUSAONB-UHFFFAOYSA-N
MW183.23 g/mol
LogP1.53
Rot. Bonds2

About 1-(3-fluoro-1-methylpyrazol-4-yl)-N,2-dimethylprop-1-en-1-amine

1-(3-fluoro-1-methylpyrazol-4-yl)-N,2-dimethylprop-1-en-1-amine (PubChem CID 177039474) has the molecular formula C9H14FN3 and a molecular weight of 183.23 g/mol. Its IUPAC name is 1-(3-fluoro-1-methylpyrazol-4-yl)-N,2-dimethylprop-1-en-1-amine.

Molecular Properties

Compound Name1-(3-fluoro-1-methylpyrazol-4-yl)-N,2-dimethylprop-1-en-1-amine
PubChem CID177039474
Molecular FormulaC9H14FN3
Molecular Weight183.23 g/mol
Exact Mass183.12
IUPAC Name1-(3-fluoro-1-methylpyrazol-4-yl)-N,2-dimethylprop-1-en-1-amine
SMILESCNC(=C(C)C)c1cn(C)nc1F
InChIInChI=1S/C9H14FN3/c1-6(2)8(11-3)7-5-13(4)12-9(7)10/h5,11H,1-4H3
InChIKeyBXAMULDZUSAONB-UHFFFAOYSA-N
XLogP1.53
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.23
LogP ≤ 51.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(1E,3E)-4-fluoro-2-(1-methylpyrazol-4-yl)penta-1,3-dien-1-amine
CID 118951926
4-[(2E,4E)-5-fluorohexa-2,4-dien-3-yl]-1-methylpyrazole
CID 118951977
4-(1-Fluorobut-2-en-2-yl)-1-methylpyrazole
CID 123461946
7-Ethenyl-3-fluoro-5-(1-methylpyrazol-4-yl)cyclohepta-1,2,4,6-tetraen-1-amine
CID 126763540
1-(2,2-difluoroethyl)-4-[(E)-prop-1-enyl]pyrazole
CID 132036005
(2E,4E)-4,6-difluoro-5-(1-methylpyrazol-4-yl)hepta-2,4,6-trien-3-amine
CID 145105885
3-fluoro-1-methyl-4-[(E)-prop-1-enyl]pyrazole
CID 155335254
5-fluoro-1-methyl-4-[(E)-prop-1-enyl]pyrazole
CID 155335261
1-(difluoromethyl)-4-[(Z)-3-methylpent-2-en-2-yl]pyrazole
CID 156104348
1-(3-Fluoro-1-methylpyrazol-4-yl)ethenamine
CID 177039408
(Z)-1-[1-(2,2-difluoroethyl)pyrazol-4-yl]but-1-en-1-amine
CID 177316698
5-fluoro-6-(1-methylpyrazol-4-yl)-1H-pyrimidin-2-one
CID 106515831

Frequently Asked Questions

What is the IUPAC name of 1-(3-fluoro-1-methylpyrazol-4-yl)-N,2-dimethylprop-1-en-1-amine?
The IUPAC name of 1-(3-fluoro-1-methylpyrazol-4-yl)-N,2-dimethylprop-1-en-1-amine (CID 177039474) is 1-(3-fluoro-1-methylpyrazol-4-yl)-N,2-dimethylprop-1-en-1-amine.
What is the SMILES notation for 1-(3-fluoro-1-methylpyrazol-4-yl)-N,2-dimethylprop-1-en-1-amine?
The canonical SMILES for 1-(3-fluoro-1-methylpyrazol-4-yl)-N,2-dimethylprop-1-en-1-amine is CNC(=C(C)C)c1cn(C)nc1F.
What is the InChIKey of 1-(3-fluoro-1-methylpyrazol-4-yl)-N,2-dimethylprop-1-en-1-amine?
The InChIKey is BXAMULDZUSAONB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14FN3/c1-6(2)8(11-3)7-5-13(4)12-9(7)10/h5,11H,1-4H3.
What are the key properties of 1-(3-fluoro-1-methylpyrazol-4-yl)-N,2-dimethylprop-1-en-1-amine?
1-(3-fluoro-1-methylpyrazol-4-yl)-N,2-dimethylprop-1-en-1-amine has a molecular weight of 183.23 g/mol, XLogP of 1.53, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-fluoro-1-methylpyrazol-4-yl)-N,2-dimethylprop-1-en-1-amine is sourced from PubChem (CID 177039474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).